data_general
_publ_requested_journal          Chem.Commun.
_publ_contact_author_name        'Allan J. B. Watson'
_publ_contact_author_address     
;EaStCHEM School of Chemistry
University of St Andrews
St Andrews, Fife KY16 9ST
United Kingdom
;
_publ_contact_author_email       aw260@st-andrews.ac.uk
loop_
_publ_author_name
_publ_author_address
'Halford-McGuff, John M.'
;EaStCHEM School of Chemistry
University of St Andrews
St Andrews, Fife KY16 9ST
United Kingdom
;
'Richardson, Thomas M.'
;EaStCHEM School of Chemistry
University of St Andrews
St Andrews, Fife KY16 9ST
United Kingdom
;
'McKay, Aidan P.'
;EaStCHEM School of Chemistry
University of St Andrews
St Andrews, Fife KY16 9ST
United Kingdom
;
'Cordes, David B.'
;EaStCHEM School of Chemistry
University of St Andrews
St Andrews, Fife KY16 9ST
United Kingdom
;
'Peschke, Frederik'
;EaStCHEM School of Chemistry
University of St Andrews
St Andrews, Fife KY16 9ST
United Kingdom
;
'Burley, Glenn A.'
;EaStCHEM School of Chemistry
University of St Andrews
St Andrews, Fife KY16 9ST
United Kingdom
;
'Watson, Allan J. B. '
;EaStCHEM School of Chemistry
University of St Andrews
St Andrews, Fife KY16 9ST
United Kingdom
;

data_13
_audit_creation_date               2024-05-14
_audit_creation_method
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number       '2019/3'
_publ_section_references
;
Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H.
 (2009), J. Appl. Cryst. 42, 339-341.

Rigaku Oxford Diffraction (2023), CrysAlisPro. version 1.171.43.109a.
    Rigaku Corporation, Tokyo, Japan

Sheldrick, G.M. (2015). Acta Cryst. A71, 3-8.

Sheldrick, G.M. (2015). Acta Cryst. C71, 3-8.
;
_chemical_name_common              '[GePh₃(PhCOCH₂1,2,3-tz-\kC)]'
_chemical_name_systematic          
;
triphenyl[1-(2-oxo-2-phenylethyl)-1,2,3-triazol-4-ido-\kC]germanium(IV)
;
_chemical_formula_moiety           'C28 H23 Ge N3 O'
_chemical_formula_sum              'C28 H23 Ge N3 O'
_chemical_formula_weight           490.08
_chemical_absolute_configuration   unk
_chemical_melting_point            ?
loop_
  _atom_type_symbol
  _atom_type_description
  _atom_type_scat_dispersion_real
  _atom_type_scat_dispersion_imag
  _atom_type_scat_source
 'C' 'C' 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'N' 'N' 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'O' 'O' 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Ge' 'Ge' 0.1547 1.8001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system        'orthorhombic'
_space_group_IT_number             19
_space_group_name_H-M_alt          'P 21 21 21'
_space_group_name_Hall             'P 2ac 2ab'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-x+1/2, -y, z+1/2'
 '-x, y+1/2, -z+1/2'
 'x+1/2, -y+1/2, -z'

_cell_length_a                     7.19194(13)
_cell_length_b                     15.2354(4)
_cell_length_c                     42.5349(9)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       4660.64(18)
_cell_formula_units_Z              8
_cell_measurement_reflns_used      23616
_cell_measurement_temperature      100
_cell_measurement_theta_max        28.5110
_cell_measurement_theta_min        1.6840
_shelx_estimated_absorpt_T_max     0.987
_shelx_estimated_absorpt_T_min     0.889
_exptl_absorpt_coefficient_mu      1.340
_exptl_absorpt_correction_T_max    1.00000
_exptl_absorpt_correction_T_min    0.64630
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.43.109a (Rigaku Oxford Diffraction, 2024)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details     ?
_exptl_crystal_colour              colourless
_exptl_crystal_colour_primary      colourless
_exptl_crystal_density_diffrn      1.397
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         plate
_exptl_crystal_F_000               2016
_exptl_crystal_size_max            0.09
_exptl_crystal_size_mid            0.09
_exptl_crystal_size_min            0.01
_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.0487
_diffrn_reflns_av_unetI/netI       0.0554
_diffrn_reflns_Laue_measured_fraction_full  0.999
_diffrn_reflns_Laue_measured_fraction_max  0.893
_diffrn_reflns_limit_h_max         9
_diffrn_reflns_limit_h_min         -8
_diffrn_reflns_limit_k_max         19
_diffrn_reflns_limit_k_min         -20
_diffrn_reflns_limit_l_max         53
_diffrn_reflns_limit_l_min         -52
_diffrn_reflns_number              52500
_diffrn_reflns_point_group_measured_fraction_full  0.998
_diffrn_reflns_point_group_measured_fraction_max  0.857
_diffrn_reflns_theta_full          25.242
_diffrn_reflns_theta_max           29.184
_diffrn_reflns_theta_min           1.962
_diffrn_ambient_temperature        100
_diffrn_detector                   'hybrid photon counting detector'
_diffrn_detector_area_resol_mean   5.8140
_diffrn_detector_type              'Dectris Pilatus 200K'
_diffrn_measured_fraction_theta_full  0.999
_diffrn_measured_fraction_theta_max  0.893
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
--------------------------------------------------------------------------
  1  ω    -89.00  45.14   0.38   60.00    --    0.00  24.00  30.00  353
  2  ω    -38.00 -12.92   0.38   60.00    --  -13.20  24.00  30.00   66
  3  ω    -89.00 -51.76   0.38   60.00    --    0.00   0.00-150.00   98
  4  ω   -102.00 -11.94   0.38   60.00    --  -13.20  55.00-120.00  237
  5  ω     14.00  54.28   0.38   60.00    --  -13.20  55.00-120.00  106
  6  ω    -43.00  75.18   0.38   60.00    --  -13.20  55.00 150.00  311
  7  ω   -102.00 -36.64   0.38   60.00    --  -13.20  28.00   0.00  172
  8  ω   -103.00 -47.90   0.38   60.00    --  -13.20  55.00 150.00  145
;
_diffrn_measurement_device         'AFC11: Quarter χ 4 circle'
_diffrn_measurement_device_type    'Rigaku XtaLAB P200K'
_diffrn_measurement_method         'shutterless scans'
_diffrn_measurement_specimen_support  Loop
_diffrn_orient_matrix_type        
 'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11        -0.0688231000
_diffrn_orient_matrix_UB_12        0.0095677000
_diffrn_orient_matrix_UB_13        -0.0114426000
_diffrn_orient_matrix_UB_21        0.0590378000
_diffrn_orient_matrix_UB_22        -0.0167111000
_diffrn_orient_matrix_UB_23        -0.0119395000
_diffrn_orient_matrix_UB_31        -0.0388069000
_diffrn_orient_matrix_UB_32        -0.0423839000
_diffrn_orient_matrix_UB_33        0.0021439000
_diffrn_radiation_monochromator    'Rigaku Osmic Confocal Optical System'
_diffrn_radiation_probe            X-ray
_diffrn_radiation_type             'Mo K\a'
_diffrn_radiation_wavelength       0.71073
_diffrn_source                     'Rotating Anode'
_diffrn_source_type                'Rigaku FR-X'
_reflns_Friedel_coverage           0.712
_reflns_Friedel_fraction_full      0.996
_reflns_Friedel_fraction_max       0.811
_reflns_number_gt                  8363
_reflns_number_total               10795
_reflns_special_details
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_reflns_threshold_expression       'I > 2σ(I)'
_computing_cell_refinement         'CrysAlisPro 1.171.43.109a (Rigaku OD, 2024)'
_computing_data_collection        
 'CrysAlisPro system (CCD 43.109a (release 21-02-2024))'
_computing_data_reduction          'CrysAlisPro 1.171.43.109a (Rigaku OD, 2024)'
_computing_molecular_graphics      'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement    'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution      'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max           1.401
_refine_diff_density_min           -1.013
_refine_diff_density_rms           0.093
_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack     0.49(3)
_refine_ls_extinction_coef         .
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     1.091
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       596
_refine_ls_number_reflns           10795
_refine_ls_number_restraints       144
_refine_ls_R_factor_all            0.0728
_refine_ls_R_factor_gt             0.0524
_refine_ls_restrained_S_all        1.086
_refine_ls_shift/su_max            0.001
_refine_ls_shift/su_mean           0.000
_refine_ls_structure_factor_coef   Fsqd
_refine_ls_weighting_details      
 'w=1/[σ²(Fo²)+(0.0176P)²+9.7302P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.0963
_refine_ls_wR_factor_ref           0.1014
_refine_special_details
;
Refined as a 2-component inversion twin due to pseudosymmetry.
Various Uij restraints were applied where appropriate.
;
_olex2_refinement_description
;
1. Twinned data refinement
 Scales: 0.51(3)
 0.49(3)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
3. Uiso/Uaniso restraints and constraints
Uanis(C5) \\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.04
Uanis(C11) \\sim Ueq, Uanis(C10) \\sim Ueq: with sigma of 0.05 and sigma for
terminal atoms of 0.1
Uanis(C50) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C56) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
4. Rigid body (RIGU) restrains
 C39, C40, C41, C42, C43
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C9, C10, C11, C12, C13
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C50, C51, C52, C53, C54, C55
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C56, C57, C58, C59, C60, C61
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5.a Secondary CH2 refined with riding coordinates:
 C6(H6A,H6B), C36(H36A,H36B)
5.b Aromatic/amide H refined with riding coordinates:
 C5(H5), C9(H9), C10(H10), C11(H11), C12(H12), C13(H13), C15(H15), C16(H16),
 C17(H17), C18(H18), C19(H19), C21(H21), C22(H22), C23(H23), C24(H24), C25(H25),
  C27(H27), C28(H28), C29(H29), C30(H30), C31(H31), C35(H35), C39(H39),
 C40(H40), C41(H41), C42(H42), C43(H43), C45(H45), C46(H46), C47(H47), C48(H48),
  C49(H49), C51(H51), C52(H52), C53(H53), C54(H54), C55(H55), C57(H57),
 C58(H58), C59(H59), C60(H60), C61(H61)
;
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary       dual
_atom_sites_solution_secondary     ?
loop_
  _atom_site_label
  _atom_site_type_symbol
  _atom_site_fract_x
  _atom_site_fract_y
  _atom_site_fract_z
  _atom_site_U_iso_or_equiv
  _atom_site_adp_type
  _atom_site_occupancy
  _atom_site_site_symmetry_order
  _atom_site_calc_flag
  _atom_site_refinement_flags_posn
  _atom_site_refinement_flags_adp
  _atom_site_refinement_flags_occupancy
  _atom_site_disorder_assembly
  _atom_site_disorder_group
 Ge1 Ge 0.35071(13) 0.75935(3) 0.65828(2) 0.01639(16) Uani 1 1 d . . . . .
 Ge2 Ge 0.85049(13) 0.23144(3) 0.65828(2) 0.01621(16) Uani 1 1 d . . . . .
 O7 O -0.0949(11) 0.6882(5) 0.55670(17) 0.053(2) Uani 1 1 d . . . . .
 O37 O 0.4012(10) 0.3063(5) 0.55660(18) 0.052(2) Uani 1 1 d . . . . .
 N1 N -0.0753(11) 0.6304(4) 0.61584(17) 0.0225(17) Uani 1 1 d . . . . .
 N2 N 0.0552(12) 0.5698(4) 0.61372(18) 0.0302(18) Uani 1 1 d . . . . .
 N3 N 0.2079(11) 0.6020(4) 0.62769(18) 0.0279(19) Uani 1 1 d . . . . .
 N31 N 0.4240(11) 0.3599(4) 0.61594(17) 0.0230(16) Uani 1 1 d . . . . .
 N32 N 0.5586(12) 0.4213(4) 0.61369(19) 0.0316(19) Uani 1 1 d . . . . .
 N33 N 0.7036(11) 0.3898(4) 0.62825(19) 0.032(2) Uani 1 1 d . . . . .
 C1 C 0.2676(16) 0.3437(5) 0.5654(2) 0.033(2) Uani 1 1 d . . . . .
 C4 C 0.1695(13) 0.6823(4) 0.63884(18) 0.0209(18) Uani 1 1 d . . . . .
 C5 C -0.0137(12) 0.7015(5) 0.63033(18) 0.0218(18) Uani 1 1 d . U . . .
 H5 H -0.079853 0.754451 0.634130 0.026 Uiso 1 1 calc R U . . .
 C6 C -0.2506(14) 0.6186(5) 0.59928(19) 0.023(2) Uani 1 1 d . . . . .
 H6A H -0.349823 0.651033 0.610475 0.028 Uiso 1 1 calc R U . . .
 H6B H -0.284038 0.555602 0.599293 0.028 Uiso 1 1 calc R U . . .
 C7 C -0.2394(14) 0.6508(5) 0.5659(2) 0.032(2) Uani 1 1 d . . . . .
 C8 C -0.4008(15) 0.6349(5) 0.5449(2) 0.033(3) Uani 1 1 d . . . . .
 C9 C -0.384(2) 0.6578(6) 0.5131(2) 0.052(3) Uani 1 1 d . . . . .
 H9 H -0.271606 0.681986 0.504996 0.062 Uiso 1 1 calc R U . . .
 C10 C -0.541(2) 0.6432(7) 0.4934(3) 0.062(3) Uani 1 1 d . U . . .
 H10 H -0.536828 0.658953 0.471799 0.075 Uiso 1 1 calc R U . . .
 C11 C -0.700(2) 0.6060(8) 0.5058(3) 0.067(4) Uani 1 1 d . U . . .
 H11 H -0.801600 0.595135 0.492135 0.081 Uiso 1 1 calc R U . . .
 C12 C -0.7179(18) 0.5844(6) 0.5364(3) 0.049(3) Uani 1 1 d . . . . .
 H12 H -0.830689 0.560916 0.544433 0.059 Uiso 1 1 calc R U . . .
 C13 C -0.5592(16) 0.5984(6) 0.5563(2) 0.032(2) Uani 1 1 d . . . . .
 H13 H -0.565269 0.581750 0.577828 0.038 Uiso 1 1 calc R U . . .
 C14 C 0.4631(12) 0.8302(4) 0.62420(19) 0.0211(19) Uani 1 1 d . . . . .
 C15 C 0.3944(12) 0.8227(5) 0.59333(18) 0.028(2) Uani 1 1 d . . . . .
 H15 H 0.294654 0.783968 0.588594 0.033 Uiso 1 1 calc R U . . .
 C16 C 0.4761(16) 0.8732(5) 0.5700(2) 0.036(2) Uani 1 1 d . . . . .
 H16 H 0.434808 0.867619 0.548912 0.043 Uiso 1 1 calc R U . . .
 C17 C 0.6188(18) 0.9323(5) 0.5772(2) 0.040(3) Uani 1 1 d . . . . .
 H17 H 0.672366 0.967480 0.561164 0.048 Uiso 1 1 calc R U . . .
 C18 C 0.6819(14) 0.9394(5) 0.60807(19) 0.028(2) Uani 1 1 d . . . . .
 H18 H 0.779383 0.979026 0.613120 0.034 Uiso 1 1 calc R U . . .
 C19 C 0.6018(13) 0.8885(4) 0.6313(2) 0.025(2) Uani 1 1 d . . . . .
 H19 H 0.643497 0.893940 0.652397 0.030 Uiso 1 1 calc R U . . .
 C20 C 0.2208(11) 0.8342(4) 0.68727(19) 0.0184(17) Uani 1 1 d . . . . .
 C21 C 0.0829(11) 0.8932(4) 0.67652(19) 0.0181(17) Uani 1 1 d . . . . .
 H21 H 0.061267 0.897834 0.654548 0.022 Uiso 1 1 calc R U . . .
 C22 C -0.0209(12) 0.9440(4) 0.6965(2) 0.0244(19) Uani 1 1 d . . . . .
 H22 H -0.111483 0.983412 0.688463 0.029 Uiso 1 1 calc R U . . .
 C23 C 0.0080(12) 0.9374(4) 0.7288(2) 0.025(2) Uani 1 1 d . . . . .
 H23 H -0.063507 0.972456 0.742705 0.030 Uiso 1 1 calc R U . . .
 C24 C 0.1372(17) 0.8812(4) 0.74055(19) 0.0257(19) Uani 1 1 d . . . . .
 H24 H 0.153884 0.876571 0.762640 0.031 Uiso 1 1 calc R U . . .
 C25 C 0.2472(12) 0.8297(4) 0.72000(18) 0.0181(16) Uani 1 1 d . . . . .
 H25 H 0.339620 0.791817 0.728399 0.022 Uiso 1 1 calc R U . . .
 C26 C 0.5488(11) 0.6930(4) 0.67972(17) 0.0141(15) Uani 1 1 d . . . . .
 C27 C 0.5739(12) 0.6058(4) 0.67421(19) 0.0181(18) Uani 1 1 d . . . . .
 H27 H 0.489834 0.574826 0.661020 0.022 Uiso 1 1 calc R U . . .
 C28 C 0.7238(13) 0.5619(5) 0.6880(2) 0.0241(18) Uani 1 1 d . . . . .
 H28 H 0.743991 0.501405 0.683915 0.029 Uiso 1 1 calc R U . . .
 C29 C 0.8409(17) 0.6068(4) 0.7075(2) 0.029(2) Uani 1 1 d . . . . .
 H29 H 0.939875 0.575873 0.717334 0.035 Uiso 1 1 calc R U . . .
 C30 C 0.8207(12) 0.6959(5) 0.71358(17) 0.0229(18) Uani 1 1 d . . . . .
 H30 H 0.905338 0.726418 0.726803 0.028 Uiso 1 1 calc R U . . .
 C31 C 0.6696(14) 0.7392(4) 0.69931(19) 0.0229(19) Uani 1 1 d . . . . .
 H31 H 0.650008 0.800024 0.703035 0.027 Uiso 1 1 calc R U . . .
 C34 C 0.6680(14) 0.3070(4) 0.63913(17) 0.0196(18) Uani 1 1 d . . . . .
 C35 C 0.4854(11) 0.2897(5) 0.6320(2) 0.028(2) Uani 1 1 d . . . . .
 H35 H 0.416720 0.238506 0.637294 0.033 Uiso 1 1 calc R U . . .
 C36 C 0.2510(15) 0.3739(5) 0.5997(2) 0.030(2) Uani 1 1 d . . . . .
 H36A H 0.218532 0.437065 0.600325 0.036 Uiso 1 1 calc R U . . .
 H36B H 0.150594 0.340777 0.610299 0.036 Uiso 1 1 calc R U . . .
 C38 C 0.1037(13) 0.3613(5) 0.5451(2) 0.031(2) Uani 1 1 d . . . . .
 C39 C -0.0665(16) 0.3967(5) 0.5566(3) 0.037(2) Uani 1 1 d . . . . .
 H39 H -0.079124 0.409991 0.578331 0.044 Uiso 1 1 calc R U . . .
 C40 C -0.2083(17) 0.4113(6) 0.5370(3) 0.048(3) Uani 1 1 d . . . . .
 H40 H -0.319709 0.435949 0.545153 0.058 Uiso 1 1 calc R U . . .
 C41 C -0.198(2) 0.3917(8) 0.5053(3) 0.064(3) Uani 1 1 d . . . . .
 H41 H -0.301810 0.401103 0.491839 0.076 Uiso 1 1 calc R U . . .
 C42 C -0.032(2) 0.3578(8) 0.4937(3) 0.069(3) Uani 1 1 d . . . . .
 H42 H -0.020095 0.346138 0.471845 0.082 Uiso 1 1 calc R U . . .
 C43 C 0.1133(19) 0.3411(6) 0.5131(2) 0.048(3) Uani 1 1 d . . . . .
 H43 H 0.223279 0.315375 0.504885 0.058 Uiso 1 1 calc R U . . .
 C44 C 0.9558(12) 0.1621(4) 0.62468(18) 0.0183(17) Uani 1 1 d . . . . .
 C45 C 0.8998(14) 0.1698(5) 0.59356(19) 0.030(2) Uani 1 1 d . . . . .
 H45 H 0.805951 0.211265 0.588380 0.035 Uiso 1 1 calc R U . . .
 C46 C 0.9776(17) 0.1184(5) 0.5695(2) 0.039(3) Uani 1 1 d . . . . .
 H46 H 0.932901 0.123376 0.548533 0.047 Uiso 1 1 calc R U . . .
 C47 C 1.1182(16) 0.0610(5) 0.57647(19) 0.033(2) Uani 1 1 d . . . . .
 H47 H 1.171723 0.026754 0.560144 0.040 Uiso 1 1 calc R U . . .
 C48 C 1.1838(14) 0.0521(5) 0.6068(2) 0.031(2) Uani 1 1 d . . . . .
 H48 H 1.281506 0.012209 0.611498 0.037 Uiso 1 1 calc R U . . .
 C49 C 1.1036(11) 0.1028(4) 0.6305(2) 0.0217(19) Uani 1 1 d . . . . .
 H49 H 1.149708 0.097373 0.651355 0.026 Uiso 1 1 calc R U . . .
 C50 C 0.7162(11) 0.1545(4) 0.68775(17) 0.0145(15) Uani 1 1 d . U . . .
 C51 C 0.5854(12) 0.0962(4) 0.6760(2) 0.0228(19) Uani 1 1 d . . . . .
 H51 H 0.568793 0.090449 0.653945 0.027 Uiso 1 1 calc R U . . .
 C52 C 0.4791(12) 0.0465(5) 0.6964(2) 0.0272(19) Uani 1 1 d . . . . .
 H52 H 0.388986 0.007068 0.688242 0.033 Uiso 1 1 calc R U . . .
 C53 C 0.5025(12) 0.0536(5) 0.7286(2) 0.028(2) Uani 1 1 d . . . . .
 H53 H 0.426348 0.020572 0.742479 0.034 Uiso 1 1 calc R U . . .
 C54 C 0.6406(16) 0.1102(4) 0.74050(19) 0.0239(17) Uani 1 1 d . . . . .
 H54 H 0.662815 0.113653 0.762485 0.029 Uiso 1 1 calc R U . . .
 C55 C 0.7425(12) 0.1604(4) 0.71992(19) 0.0204(17) Uani 1 1 d . . . . .
 H55 H 0.832939 0.199982 0.727938 0.025 Uiso 1 1 calc R U . . .
 C56 C 1.0455(12) 0.2955(4) 0.67904(18) 0.0170(16) Uani 1 1 d . U . . .
 C57 C 1.0770(13) 0.3860(5) 0.67426(19) 0.0217(18) Uani 1 1 d . . . . .
 H57 H 0.995540 0.418088 0.660942 0.026 Uiso 1 1 calc R U . . .
 C58 C 1.2232(13) 0.4288(5) 0.6885(2) 0.028(2) Uani 1 1 d . . . . .
 H58 H 1.239602 0.489929 0.685158 0.033 Uiso 1 1 calc R U . . .
 C59 C 1.3473(16) 0.3835(5) 0.70772(19) 0.0276(17) Uani 1 1 d . . . . .
 H59 H 1.450226 0.412667 0.717032 0.033 Uiso 1 1 calc R U . . .
 C60 C 1.3169(13) 0.2953(5) 0.7129(2) 0.028(2) Uani 1 1 d . . . . .
 H60 H 1.398754 0.263838 0.726332 0.033 Uiso 1 1 calc R U . . .
 C61 C 1.1720(12) 0.2523(4) 0.69919(19) 0.0193(17) Uani 1 1 d . . . . .
 H61 H 1.155450 0.191486 0.703298 0.023 Uiso 1 1 calc R U . . .


_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
  _geom_bond_atom_site_label_1
  _geom_bond_atom_site_label_2
  _geom_bond_distance
  _geom_bond_site_symmetry_2
  _geom_bond_publ_flag
 Ge1 C4 1.939(8) . ?
 Ge1 C14 1.980(8) . ?
 Ge1 C20 1.921(8) . ?
 Ge1 C26 1.970(7) . ?
 Ge2 C34 1.927(9) . ?
 Ge2 C44 1.932(8) . ?
 Ge2 C50 1.969(7) . ?
 Ge2 C56 1.924(8) . ?
 O7 C7 1.249(12) . ?
 O37 C1 1.178(12) . ?
 N1 N2 1.320(10) . ?
 N1 C5 1.323(10) . ?
 N1 C6 1.455(11) . ?
 N2 N3 1.341(10) . ?
 N3 C4 1.341(9) . ?
 N31 N32 1.350(11) . ?
 N31 C35 1.344(10) . ?
 N31 C36 1.439(12) . ?
 N32 N33 1.304(10) . ?
 N33 C34 1.368(9) . ?
 C1 C36 1.533(13) . ?
 C1 C38 1.488(14) . ?
 C4 C5 1.398(13) . ?
 C5 H5 0.9500 . ?
 C6 H6A 0.9900 . ?
 C6 H6B 0.9900 . ?
 C6 C7 1.502(13) . ?
 C7 C8 1.485(14) . ?
 C8 C9 1.404(13) . ?
 C8 C13 1.357(15) . ?
 C9 H9 0.9500 . ?
 C9 C10 1.427(18) . ?
 C10 H10 0.9500 . ?
 C10 C11 1.38(2) . ?
 C11 H11 0.9500 . ?
 C11 C12 1.348(16) . ?
 C12 H12 0.9500 . ?
 C12 C13 1.438(14) . ?
 C13 H13 0.9500 . ?
 C14 C15 1.408(11) . ?
 C14 C19 1.369(12) . ?
 C15 H15 0.9500 . ?
 C15 C16 1.386(12) . ?
 C16 H16 0.9500 . ?
 C16 C17 1.400(14) . ?
 C17 H17 0.9500 . ?
 C17 C18 1.392(13) . ?
 C18 H18 0.9500 . ?
 C18 C19 1.382(11) . ?
 C19 H19 0.9500 . ?
 C20 C21 1.415(10) . ?
 C20 C25 1.407(11) . ?
 C21 H21 0.9500 . ?
 C21 C22 1.372(11) . ?
 C22 H22 0.9500 . ?
 C22 C23 1.390(12) . ?
 C23 H23 0.9500 . ?
 C23 C24 1.359(13) . ?
 C24 H24 0.9500 . ?
 C24 C25 1.416(12) . ?
 C25 H25 0.9500 . ?
 C26 C27 1.362(9) . ?
 C26 C31 1.395(11) . ?
 C27 H27 0.9500 . ?
 C27 C28 1.398(12) . ?
 C28 H28 0.9500 . ?
 C28 C29 1.365(13) . ?
 C29 H29 0.9500 . ?
 C29 C30 1.390(10) . ?
 C30 H30 0.9500 . ?
 C30 C31 1.409(12) . ?
 C31 H31 0.9500 . ?
 C34 C35 1.373(13) . ?
 C35 H35 0.9500 . ?
 C36 H36A 0.9900 . ?
 C36 H36B 0.9900 . ?
 C38 C39 1.425(14) . ?
 C38 C43 1.393(13) . ?
 C39 H39 0.9500 . ?
 C39 C40 1.335(14) . ?
 C40 H40 0.9500 . ?
 C40 C41 1.384(16) . ?
 C41 H41 0.9500 . ?
 C41 C42 1.39(2) . ?
 C42 H42 0.9500 . ?
 C42 C43 1.357(19) . ?
 C43 H43 0.9500 . ?
 C44 C45 1.388(11) . ?
 C44 C49 1.417(11) . ?
 C45 H45 0.9500 . ?
 C45 C46 1.406(12) . ?
 C46 H46 0.9500 . ?
 C46 C47 1.370(14) . ?
 C47 H47 0.9500 . ?
 C47 C48 1.382(12) . ?
 C48 H48 0.9500 . ?
 C48 C49 1.394(11) . ?
 C49 H49 0.9500 . ?
 C50 C51 1.387(11) . ?
 C50 C55 1.384(11) . ?
 C51 H51 0.9500 . ?
 C51 C52 1.382(12) . ?
 C52 H52 0.9500 . ?
 C52 C53 1.382(12) . ?
 C53 H53 0.9500 . ?
 C53 C54 1.411(13) . ?
 C54 H54 0.9500 . ?
 C54 C55 1.374(12) . ?
 C55 H55 0.9500 . ?
 C56 C57 1.412(9) . ?
 C56 C61 1.413(11) . ?
 C57 H57 0.9500 . ?
 C57 C58 1.377(12) . ?
 C58 H58 0.9500 . ?
 C58 C59 1.393(13) . ?
 C59 H59 0.9500 . ?
 C59 C60 1.380(10) . ?
 C60 H60 0.9500 . ?
 C60 C61 1.362(12) . ?
 C61 H61 0.9500 . ?

loop_
  _geom_angle_atom_site_label_1
  _geom_angle_atom_site_label_2
  _geom_angle_atom_site_label_3
  _geom_angle
  _geom_angle_site_symmetry_1
  _geom_angle_site_symmetry_3
  _geom_angle_publ_flag
 C4 Ge1 C14 107.0(3) . . ?
 C4 Ge1 C26 111.9(3) . . ?
 C20 Ge1 C4 107.8(4) . . ?
 C20 Ge1 C14 110.2(3) . . ?
 C20 Ge1 C26 111.0(3) . . ?
 C26 Ge1 C14 108.8(3) . . ?
 C34 Ge2 C44 106.3(3) . . ?
 C34 Ge2 C50 106.9(3) . . ?
 C44 Ge2 C50 109.7(3) . . ?
 C56 Ge2 C34 112.8(3) . . ?
 C56 Ge2 C44 109.4(3) . . ?
 C56 Ge2 C50 111.6(3) . . ?
 N2 N1 C5 111.5(8) . . ?
 N2 N1 C6 119.8(7) . . ?
 C5 N1 C6 128.1(7) . . ?
 N1 N2 N3 107.2(6) . . ?
 C4 N3 N2 108.8(7) . . ?
 N32 N31 C36 118.8(6) . . ?
 C35 N31 N32 110.6(7) . . ?
 C35 N31 C36 130.3(7) . . ?
 N33 N32 N31 106.6(6) . . ?
 N32 N33 C34 110.5(8) . . ?
 O37 C1 C36 120.8(9) . . ?
 O37 C1 C38 123.2(8) . . ?
 C38 C1 C36 116.0(9) . . ?
 N3 C4 Ge1 124.4(7) . . ?
 N3 C4 C5 107.1(7) . . ?
 C5 C4 Ge1 128.1(5) . . ?
 N1 C5 C4 105.3(7) . . ?
 N1 C5 H5 127.3 . . ?
 C4 C5 H5 127.3 . . ?
 N1 C6 H6A 109.3 . . ?
 N1 C6 H6B 109.3 . . ?
 N1 C6 C7 111.7(7) . . ?
 H6A C6 H6B 107.9 . . ?
 C7 C6 H6A 109.3 . . ?
 C7 C6 H6B 109.3 . . ?
 O7 C7 C6 119.4(9) . . ?
 O7 C7 C8 122.4(9) . . ?
 C8 C7 C6 118.2(8) . . ?
 C9 C8 C7 118.1(10) . . ?
 C13 C8 C7 120.5(8) . . ?
 C13 C8 C9 121.4(10) . . ?
 C8 C9 H9 121.4 . . ?
 C8 C9 C10 117.2(12) . . ?
 C10 C9 H9 121.4 . . ?
 C9 C10 H10 120.1 . . ?
 C11 C10 C9 119.7(10) . . ?
 C11 C10 H10 120.1 . . ?
 C10 C11 H11 118.3 . . ?
 C12 C11 C10 123.4(13) . . ?
 C12 C11 H11 118.3 . . ?
 C11 C12 H12 121.4 . . ?
 C11 C12 C13 117.1(12) . . ?
 C13 C12 H12 121.4 . . ?
 C8 C13 C12 121.1(9) . . ?
 C8 C13 H13 119.4 . . ?
 C12 C13 H13 119.4 . . ?
 C15 C14 Ge1 119.7(6) . . ?
 C19 C14 Ge1 119.3(6) . . ?
 C19 C14 C15 121.0(7) . . ?
 C14 C15 H15 120.9 . . ?
 C16 C15 C14 118.2(8) . . ?
 C16 C15 H15 120.9 . . ?
 C15 C16 H16 119.6 . . ?
 C15 C16 C17 120.8(9) . . ?
 C17 C16 H16 119.6 . . ?
 C16 C17 H17 120.2 . . ?
 C18 C17 C16 119.7(9) . . ?
 C18 C17 H17 120.2 . . ?
 C17 C18 H18 120.2 . . ?
 C19 C18 C17 119.6(9) . . ?
 C19 C18 H18 120.2 . . ?
 C14 C19 C18 120.7(8) . . ?
 C14 C19 H19 119.7 . . ?
 C18 C19 H19 119.7 . . ?
 C21 C20 Ge1 120.7(6) . . ?
 C25 C20 Ge1 122.8(5) . . ?
 C25 C20 C21 116.4(7) . . ?
 C20 C21 H21 118.7 . . ?
 C22 C21 C20 122.7(8) . . ?
 C22 C21 H21 118.7 . . ?
 C21 C22 H22 120.3 . . ?
 C21 C22 C23 119.3(7) . . ?
 C23 C22 H22 120.3 . . ?
 C22 C23 H23 119.6 . . ?
 C24 C23 C22 120.8(7) . . ?
 C24 C23 H23 119.6 . . ?
 C23 C24 H24 119.9 . . ?
 C23 C24 C25 120.2(8) . . ?
 C25 C24 H24 119.9 . . ?
 C20 C25 C24 120.6(7) . . ?
 C20 C25 H25 119.7 . . ?
 C24 C25 H25 119.7 . . ?
 C27 C26 Ge1 121.1(6) . . ?
 C27 C26 C31 120.9(7) . . ?
 C31 C26 Ge1 117.9(5) . . ?
 C26 C27 H27 120.1 . . ?
 C26 C27 C28 119.7(8) . . ?
 C28 C27 H27 120.1 . . ?
 C27 C28 H28 120.3 . . ?
 C29 C28 C27 119.5(7) . . ?
 C29 C28 H28 120.3 . . ?
 C28 C29 H29 118.8 . . ?
 C28 C29 C30 122.5(9) . . ?
 C30 C29 H29 118.8 . . ?
 C29 C30 H30 121.4 . . ?
 C29 C30 C31 117.3(8) . . ?
 C31 C30 H30 121.4 . . ?
 C26 C31 C30 120.1(6) . . ?
 C26 C31 H31 119.9 . . ?
 C30 C31 H31 119.9 . . ?
 N33 C34 Ge2 124.5(7) . . ?
 N33 C34 C35 106.4(7) . . ?
 C35 C34 Ge2 129.0(6) . . ?
 N31 C35 C34 105.9(7) . . ?
 N31 C35 H35 127.1 . . ?
 C34 C35 H35 127.1 . . ?
 N31 C36 C1 110.1(8) . . ?
 N31 C36 H36A 109.6 . . ?
 N31 C36 H36B 109.6 . . ?
 C1 C36 H36A 109.6 . . ?
 C1 C36 H36B 109.6 . . ?
 H36A C36 H36B 108.1 . . ?
 C39 C38 C1 123.2(8) . . ?
 C43 C38 C1 119.3(9) . . ?
 C43 C38 C39 117.5(10) . . ?
 C38 C39 H39 119.9 . . ?
 C40 C39 C38 120.2(10) . . ?
 C40 C39 H39 119.9 . . ?
 C39 C40 H40 118.9 . . ?
 C39 C40 C41 122.2(12) . . ?
 C41 C40 H40 118.9 . . ?
 C40 C41 H41 121.0 . . ?
 C40 C41 C42 118.0(13) . . ?
 C42 C41 H41 121.0 . . ?
 C41 C42 H42 119.5 . . ?
 C43 C42 C41 121.0(12) . . ?
 C43 C42 H42 119.5 . . ?
 C38 C43 H43 119.5 . . ?
 C42 C43 C38 121.0(12) . . ?
 C42 C43 H43 119.5 . . ?
 C45 C44 Ge2 123.0(6) . . ?
 C45 C44 C49 116.0(7) . . ?
 C49 C44 Ge2 120.9(6) . . ?
 C44 C45 H45 118.9 . . ?
 C44 C45 C46 122.1(8) . . ?
 C46 C45 H45 118.9 . . ?
 C45 C46 H46 120.3 . . ?
 C47 C46 C45 119.4(9) . . ?
 C47 C46 H46 120.3 . . ?
 C46 C47 H47 119.4 . . ?
 C46 C47 C48 121.2(8) . . ?
 C48 C47 H47 119.4 . . ?
 C47 C48 H48 120.7 . . ?
 C47 C48 C49 118.7(8) . . ?
 C49 C48 H48 120.7 . . ?
 C44 C49 H49 118.8 . . ?
 C48 C49 C44 122.5(8) . . ?
 C48 C49 H49 118.8 . . ?
 C51 C50 Ge2 119.0(6) . . ?
 C55 C50 Ge2 121.6(6) . . ?
 C55 C50 C51 119.4(7) . . ?
 C50 C51 H51 120.0 . . ?
 C52 C51 C50 120.0(8) . . ?
 C52 C51 H51 120.0 . . ?
 C51 C52 H52 119.6 . . ?
 C53 C52 C51 120.8(8) . . ?
 C53 C52 H52 119.6 . . ?
 C52 C53 H53 120.4 . . ?
 C52 C53 C54 119.3(8) . . ?
 C54 C53 H53 120.4 . . ?
 C53 C54 H54 120.4 . . ?
 C55 C54 C53 119.1(8) . . ?
 C55 C54 H54 120.4 . . ?
 C50 C55 H55 119.3 . . ?
 C54 C55 C50 121.4(8) . . ?
 C54 C55 H55 119.3 . . ?
 C57 C56 Ge2 123.1(6) . . ?
 C57 C56 C61 116.1(7) . . ?
 C61 C56 Ge2 120.7(5) . . ?
 C56 C57 H57 119.3 . . ?
 C58 C57 C56 121.4(8) . . ?
 C58 C57 H57 119.3 . . ?
 C57 C58 H58 119.6 . . ?
 C57 C58 C59 120.9(7) . . ?
 C59 C58 H58 119.6 . . ?
 C58 C59 H59 120.8 . . ?
 C60 C59 C58 118.3(9) . . ?
 C60 C59 H59 120.8 . . ?
 C59 C60 H60 119.3 . . ?
 C61 C60 C59 121.4(9) . . ?
 C61 C60 H60 119.3 . . ?
 C56 C61 H61 119.1 . . ?
 C60 C61 C56 121.9(7) . . ?
 C60 C61 H61 119.1 . . ?

loop_
  _geom_torsion_atom_site_label_1
  _geom_torsion_atom_site_label_2
  _geom_torsion_atom_site_label_3
  _geom_torsion_atom_site_label_4
  _geom_torsion
  _geom_torsion_site_symmetry_1
  _geom_torsion_site_symmetry_2
  _geom_torsion_site_symmetry_3
  _geom_torsion_site_symmetry_4
  _geom_torsion_publ_flag
 Ge1 C4 C5 N1 175.3(6) . . . . ?
 Ge1 C14 C15 C16 180.0(7) . . . . ?
 Ge1 C14 C19 C18 -179.4(6) . . . . ?
 Ge1 C20 C21 C22 176.1(6) . . . . ?
 Ge1 C20 C25 C24 -174.8(6) . . . . ?
 Ge1 C26 C27 C28 175.4(6) . . . . ?
 Ge1 C26 C31 C30 -175.9(6) . . . . ?
 Ge2 C34 C35 N31 -173.5(6) . . . . ?
 Ge2 C44 C45 C46 -179.6(7) . . . . ?
 Ge2 C44 C49 C48 -179.6(6) . . . . ?
 Ge2 C50 C51 C52 -174.9(6) . . . . ?
 Ge2 C50 C55 C54 176.1(6) . . . . ?
 Ge2 C56 C57 C58 -177.1(6) . . . . ?
 Ge2 C56 C61 C60 176.6(6) . . . . ?
 O7 C7 C8 C9 4.4(13) . . . . ?
 O7 C7 C8 C13 -176.4(9) . . . . ?
 O37 C1 C36 N31 7.3(12) . . . . ?
 O37 C1 C38 C39 172.1(9) . . . . ?
 O37 C1 C38 C43 -6.8(14) . . . . ?
 N1 N2 N3 C4 0.9(10) . . . . ?
 N1 C6 C7 O7 -5.0(12) . . . . ?
 N1 C6 C7 C8 173.8(7) . . . . ?
 N2 N1 C5 C4 -2.0(9) . . . . ?
 N2 N1 C6 C7 -85.9(10) . . . . ?
 N2 N3 C4 Ge1 -175.3(6) . . . . ?
 N2 N3 C4 C5 -2.1(10) . . . . ?
 N3 C4 C5 N1 2.5(9) . . . . ?
 N31 N32 N33 C34 2.1(10) . . . . ?
 N32 N31 C35 C34 -2.0(10) . . . . ?
 N32 N31 C36 C1 84.3(10) . . . . ?
 N32 N33 C34 Ge2 173.5(6) . . . . ?
 N32 N33 C34 C35 -3.3(10) . . . . ?
 N33 C34 C35 N31 3.1(9) . . . . ?
 C1 C38 C39 C40 179.7(8) . . . . ?
 C1 C38 C43 C42 -178.7(10) . . . . ?
 C5 N1 N2 N3 0.7(10) . . . . ?
 C5 N1 C6 C7 84.2(10) . . . . ?
 C6 N1 N2 N3 172.3(7) . . . . ?
 C6 N1 C5 C4 -172.8(7) . . . . ?
 C6 C7 C8 C9 -174.3(8) . . . . ?
 C6 C7 C8 C13 4.9(12) . . . . ?
 C7 C8 C9 C10 -179.1(8) . . . . ?
 C7 C8 C13 C12 178.7(8) . . . . ?
 C8 C9 C10 C11 -1.5(17) . . . . ?
 C9 C8 C13 C12 -2.2(14) . . . . ?
 C9 C10 C11 C12 2(2) . . . . ?
 C10 C11 C12 C13 -2.4(18) . . . . ?
 C11 C12 C13 C8 2.4(15) . . . . ?
 C13 C8 C9 C10 1.6(14) . . . . ?
 C14 C15 C16 C17 -2.2(14) . . . . ?
 C15 C14 C19 C18 -2.1(12) . . . . ?
 C15 C16 C17 C18 1.2(15) . . . . ?
 C16 C17 C18 C19 -0.5(14) . . . . ?
 C17 C18 C19 C14 1.0(13) . . . . ?
 C19 C14 C15 C16 2.6(12) . . . . ?
 C20 C21 C22 C23 -0.6(12) . . . . ?
 C21 C20 C25 C24 1.1(11) . . . . ?
 C21 C22 C23 C24 0.0(12) . . . . ?
 C22 C23 C24 C25 1.2(13) . . . . ?
 C23 C24 C25 C20 -1.7(12) . . . . ?
 C25 C20 C21 C22 0.1(11) . . . . ?
 C26 C27 C28 C29 1.5(12) . . . . ?
 C27 C26 C31 C30 0.4(12) . . . . ?
 C27 C28 C29 C30 -2.0(14) . . . . ?
 C28 C29 C30 C31 1.6(14) . . . . ?
 C29 C30 C31 C26 -0.7(12) . . . . ?
 C31 C26 C27 C28 -0.7(12) . . . . ?
 C35 N31 N32 N33 -0.1(10) . . . . ?
 C35 N31 C36 C1 -89.6(10) . . . . ?
 C36 N31 N32 N33 -175.1(7) . . . . ?
 C36 N31 C35 C34 172.4(8) . . . . ?
 C36 C1 C38 C39 -5.5(12) . . . . ?
 C36 C1 C38 C43 175.6(8) . . . . ?
 C38 C1 C36 N31 -175.1(7) . . . . ?
 C38 C39 C40 C41 1.1(15) . . . . ?
 C39 C38 C43 C42 2.3(14) . . . . ?
 C39 C40 C41 C42 -1.7(17) . . . . ?
 C40 C41 C42 C43 2.6(19) . . . . ?
 C41 C42 C43 C38 -3.0(18) . . . . ?
 C43 C38 C39 C40 -1.4(13) . . . . ?
 C44 C45 C46 C47 -2.6(15) . . . . ?
 C45 C44 C49 C48 -2.7(11) . . . . ?
 C45 C46 C47 C48 0.7(15) . . . . ?
 C46 C47 C48 C49 0.1(14) . . . . ?
 C47 C48 C49 C44 0.9(13) . . . . ?
 C49 C44 C45 C46 3.5(12) . . . . ?
 C50 C51 C52 C53 -0.5(12) . . . . ?
 C51 C50 C55 C54 -0.6(12) . . . . ?
 C51 C52 C53 C54 -2.0(12) . . . . ?
 C52 C53 C54 C55 3.2(12) . . . . ?
 C53 C54 C55 C50 -1.9(12) . . . . ?
 C55 C50 C51 C52 1.8(11) . . . . ?
 C56 C57 C58 C59 1.2(13) . . . . ?
 C57 C56 C61 C60 -0.7(12) . . . . ?
 C57 C58 C59 C60 -1.9(13) . . . . ?
 C58 C59 C60 C61 1.4(13) . . . . ?
 C59 C60 C61 C56 -0.1(13) . . . . ?
 C61 C56 C57 C58 0.2(12) . . . . ?

loop_
  _twin_individual_id
  _twin_individual_mass_fraction_refined
 1 0.51(3)
 2 0.49(3)
##==END CIF
