 
data_2a
 
_audit_creation_method            'SHELXL-2018/3'
_shelx_SHELXL_version_number      '2018/3'
_chemical_name_systematic         ?
_chemical_name_common             ?
_chemical_melting_point           ?
_chemical_formula_moiety          ?
_chemical_formula_sum
 'C29 H19 N4 O Se2' 
_chemical_formula_weight          597.40

loop_
 _atom_type_symbol
 _atom_type_description
 _atom_type_scat_dispersion_real
 _atom_type_scat_dispersion_imag
 _atom_type_scat_source
 'C'  'C'   0.0181   0.0091
 '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'   0.0311   0.0180
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Se'  'Se'  -0.7943   1.1372
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'O'  'O'   0.0492   0.0322
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 
_space_group_crystal_system       monoclinic
_space_group_IT_number            14
_space_group_name_H-M_alt         'P 21/c'
_space_group_name_Hall            '-P 2ybc'
 
_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.
;
 
loop_
 _space_group_symop_operation_xyz
 'x, y, z'
 '-x, y+1/2, -z+1/2'
 '-x, -y, -z'
 'x, -y-1/2, z-1/2'
 
_cell_length_a                    7.4069(13)
_cell_length_b                    20.254(4)
_cell_length_c                    15.134(3)
_cell_angle_alpha                 90
_cell_angle_beta                  91.658(4)
_cell_angle_gamma                 90
_cell_volume                      2269.5(7)
_cell_formula_units_Z             4
_cell_measurement_temperature     100(2)
_cell_measurement_reflns_used      9742
_cell_measurement_theta_min        3.61
_cell_measurement_theta_max       78.44
 
_exptl_crystal_description        prismatic
_exptl_crystal_colour             colourless
_exptl_crystal_density_meas       ?
_exptl_crystal_density_method     ?
_exptl_crystal_density_diffrn     1.748          
_exptl_crystal_F_000              1188
_exptl_transmission_factor_min    ?
_exptl_transmission_factor_max    ?
_exptl_crystal_size_max           0.100
_exptl_crystal_size_mid           0.050
_exptl_crystal_size_min           0.050
_exptl_absorpt_coefficient_mu     4.339
_shelx_estimated_absorpt_T_min    0.671
_shelx_estimated_absorpt_T_max    0.812
_exptl_absorpt_correction_type    empirical
_exptl_absorpt_correction_T_min   0.6915
_exptl_absorpt_correction_T_max   0.8163
_exptl_absorpt_process_details    'SADABS Sheldrick 1996'
_exptl_absorpt_special_details    ?
_diffrn_ambient_temperature       100(2)
_diffrn_radiation_wavelength      1.54178
_diffrn_radiation_type            CuK\a
_diffrn_source                    'rotating-anode X-ray tube'
_diffrn_measurement_device_type   'BrukerD8 goniometer'
_diffrn_measurement_method        'omega and phi scans'
_diffrn_detector_area_resol_mean  '10.24'
_diffrn_reflns_number             29686
_diffrn_reflns_av_unetI/netI      0.0152
_diffrn_reflns_av_R_equivalents   0.0265
_diffrn_reflns_limit_h_min        -9
_diffrn_reflns_limit_h_max        7
_diffrn_reflns_limit_k_min        -25
_diffrn_reflns_limit_k_max        25
_diffrn_reflns_limit_l_min        -19
_diffrn_reflns_limit_l_max        19
_diffrn_reflns_theta_min          3.647
_diffrn_reflns_theta_max          79.288
_diffrn_reflns_theta_full         67.679
_diffrn_measured_fraction_theta_max   0.949
_diffrn_measured_fraction_theta_full  0.985
_diffrn_reflns_Laue_measured_fraction_max    0.949
_diffrn_reflns_Laue_measured_fraction_full   0.985
_diffrn_reflns_point_group_measured_fraction_max   0.949
_diffrn_reflns_point_group_measured_fraction_full  0.985
_reflns_number_total              4679
_reflns_number_gt                 4500
_reflns_threshold_expression      'I > 2σ(I)'
_reflns_Friedel_coverage          0.000
_reflns_Friedel_fraction_max      .
_reflns_Friedel_fraction_full     .
 
_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.
;
 
_computing_data_collection        'APEX3 (Bruker AXS, 2015)'
_computing_cell_refinement        'SAINT (Bruker AXS, 2015)'
_computing_data_reduction         'SAINT (Bruker AXS, 2015)'
_computing_structure_solution     'SHELXT 2014/5 (Sheldrick, 2015)'
_computing_structure_refinement   'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics     'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material   'SHELXLE (Hübschle et al., 2011)'
_refine_special_details           ?
_refine_ls_structure_factor_coef  Fsqd
_refine_ls_matrix_type            full
_refine_ls_weighting_scheme       calc
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0267P)²+2.9893P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary      ?
_atom_sites_solution_secondary    ?
_atom_sites_solution_hydrogens    geom
_refine_ls_hydrogen_treatment     mixed
_refine_ls_extinction_method      none
_refine_ls_extinction_coef        .
_refine_ls_number_reflns          4679
_refine_ls_number_parameters      327
_refine_ls_number_restraints      0
_refine_ls_R_factor_all           0.0239
_refine_ls_R_factor_gt            0.0230
_refine_ls_wR_factor_ref          0.0620
_refine_ls_wR_factor_gt           0.0615
_refine_ls_goodness_of_fit_ref    1.083
_refine_ls_restrained_S_all       1.083
_refine_ls_shift/su_max           0.002
_refine_ls_shift/su_mean          0.000
 
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
Se1 Se 0.51147(3) 0.25510(2) 0.62754(2) 0.01408(6) Uani 1 1 d . . . . .
Se2 Se 0.10923(3) 0.30570(2) 0.49367(2) 0.01610(6) Uani 1 1 d . . . . .
N1 N 0.6912(2) 0.37385(8) 0.69863(10) 0.0150(3) Uani 1 1 d . . . . .
N2 N 0.6375(2) 0.28998(7) 0.79222(10) 0.0118(3) Uani 1 1 d . . . . .
N3 N 0.2576(2) 0.17078(7) 0.50266(10) 0.0130(3) Uani 1 1 d . . . . .
N4 N 0.1637(2) 0.21274(7) 0.36801(10) 0.0111(3) Uani 1 1 d . . . . .
O1 O 0.66999(19) 0.46418(7) 0.56548(9) 0.0183(3) Uani 1 1 d . . . . .
H5A H 0.6829(6) 0.4361(14) 0.6037(18) 0.027 Uiso 1 1 calc R U . . .
C1 C 0.7484(2) 0.39132(9) 0.78439(12) 0.0136(3) Uani 1 1 d . . . . .
C2 C 0.8246(3) 0.45079(9) 0.81399(13) 0.0161(4) Uani 1 1 d . . . . .
H2 H 0.848067 0.485755 0.774077 0.019 Uiso 1 1 calc R U . . .
C3 C 0.8647(3) 0.45691(9) 0.90372(13) 0.0168(4) Uani 1 1 d . . . . .
H3 H 0.915663 0.496943 0.925631 0.020 Uiso 1 1 calc R U . . .
C4 C 0.8315(3) 0.40521(10) 0.96280(13) 0.0174(4) Uani 1 1 d . . . . .
H4 H 0.860705 0.411144 1.023820 0.021 Uiso 1 1 calc R U . . .
C5 C 0.7572(3) 0.34558(9) 0.93457(12) 0.0151(4) Uani 1 1 d . . . . .
H5 H 0.735494 0.310558 0.974646 0.018 Uiso 1 1 calc R U . . .
C6 C 0.7162(2) 0.33977(9) 0.84426(12) 0.0123(3) Uani 1 1 d . . . . .
C7 C 0.5728(2) 0.22542(9) 0.80471(12) 0.0124(3) Uani 1 1 d . . . . .
C8 C 0.5787(3) 0.18988(9) 0.88342(13) 0.0149(4) Uani 1 1 d . . . . .
H8 H 0.627084 0.208926 0.936353 0.018 Uiso 1 1 calc R U . . .
C9 C 0.5116(3) 0.12565(10) 0.88251(13) 0.0175(4) Uani 1 1 d . . . . .
H9 H 0.515480 0.100359 0.935395 0.021 Uiso 1 1 calc R U . . .
C10 C 0.4388(3) 0.09798(9) 0.80502(14) 0.0183(4) Uani 1 1 d . . . . .
H10 H 0.393356 0.054125 0.805950 0.022 Uiso 1 1 calc R U . . .
C11 C 0.4316(3) 0.13363(9) 0.72620(13) 0.0154(4) Uani 1 1 d . . . . .
H11 H 0.380470 0.114887 0.673644 0.018 Uiso 1 1 calc R U . . .
C12 C 0.5009(2) 0.19712(9) 0.72667(12) 0.0133(4) Uani 1 1 d . . . . .
C13 C 0.6262(3) 0.31418(9) 0.70725(12) 0.0136(3) Uani 1 1 d . . . . .
C14 C 0.2834(2) 0.12469(9) 0.43401(12) 0.0129(3) Uani 1 1 d . . . . .
C15 C 0.3516(3) 0.06067(9) 0.44143(13) 0.0161(4) Uani 1 1 d . . . . .
H15 H 0.389034 0.043005 0.497148 0.019 Uiso 1 1 calc R U . . .
C16 C 0.3628(3) 0.02375(9) 0.36476(13) 0.0175(4) Uani 1 1 d . . . . .
H16 H 0.407157 -0.020215 0.368361 0.021 Uiso 1 1 calc R U . . .
C17 C 0.3104(3) 0.04962(9) 0.28185(13) 0.0166(4) Uani 1 1 d . . . . .
H17 H 0.322100 0.023016 0.230638 0.020 Uiso 1 1 calc R U . . .
C18 C 0.2418(2) 0.11319(9) 0.27292(12) 0.0135(3) Uani 1 1 d . . . . .
H18 H 0.206577 0.130887 0.216893 0.016 Uiso 1 1 calc R U . . .
C19 C 0.2273(2) 0.14955(8) 0.35038(12) 0.0114(3) Uani 1 1 d . . . . .
C20 C 0.0863(2) 0.26485(9) 0.31931(12) 0.0114(3) Uani 1 1 d . . . . .
C21 C 0.0468(3) 0.26562(9) 0.22892(12) 0.0142(4) Uani 1 1 d . . . . .
H21 H 0.069281 0.227948 0.193507 0.017 Uiso 1 1 calc R U . . .
C22 C -0.0265(3) 0.32280(10) 0.19140(13) 0.0164(4) Uani 1 1 d . . . . .
H22 H -0.053013 0.324265 0.129637 0.020 Uiso 1 1 calc R U . . .
C23 C -0.0614(3) 0.37776(9) 0.24324(13) 0.0171(4) Uani 1 1 d . . . . .
H23 H -0.110400 0.416456 0.216409 0.021 Uiso 1 1 calc R U . . .
C24 C -0.0253(3) 0.37673(9) 0.33403(13) 0.0158(4) Uani 1 1 d . . . . .
H24 H -0.050199 0.414148 0.369497 0.019 Uiso 1 1 calc R U . . .
C25 C 0.0480(3) 0.31980(9) 0.37162(12) 0.0132(3) Uani 1 1 d . . . . .
C26 C 0.1866(2) 0.22149(9) 0.45820(12) 0.0129(3) Uani 1 1 d . . . . .
C27 C 0.8339(3) 0.48098(9) 0.53434(12) 0.0144(4) Uani 1 1 d . . . . .
C28 C 0.8394(3) 0.52564(9) 0.46451(12) 0.0150(4) Uani 1 1 d . . . . .
H28 H 0.730240 0.543327 0.440002 0.018 Uiso 1 1 calc R U . . .
C29 C 0.9960(3) 0.45557(9) 0.56949(12) 0.0156(4) Uani 1 1 d . . . . .
H29 H 0.993719 0.425101 0.617166 0.019 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
Se1 C13 1.8844(19) . ?
Se1 C12 1.9087(18) . ?
Se2 C26 1.8823(18) . ?
Se2 C25 1.9108(18) . ?
N1 C13 1.309(2) . ?
N1 C1 1.399(2) . ?
N2 C13 1.376(2) . ?
N2 C6 1.397(2) . ?
N2 C7 1.407(2) . ?
N3 C26 1.328(2) . ?
N3 C14 1.414(2) . ?
N4 C26 1.382(2) . ?
N4 C19 1.392(2) . ?
N4 C20 1.401(2) . ?
O1 C27 1.358(2) . ?
O1 H5A 0.82(3) . ?
C1 C2 1.398(3) . ?
C1 C6 1.407(3) . ?
C2 C3 1.387(3) . ?
C2 H2 0.9500 . ?
C3 C4 1.403(3) . ?
C3 H3 0.9500 . ?
C4 C5 1.389(3) . ?
C4 H4 0.9500 . ?
C5 C6 1.397(3) . ?
C5 H5 0.9500 . ?
C7 C8 1.391(3) . ?
C7 C12 1.404(3) . ?
C8 C9 1.392(3) . ?
C8 H8 0.9500 . ?
C9 C10 1.394(3) . ?
C9 H9 0.9500 . ?
C10 C11 1.394(3) . ?
C10 H10 0.9500 . ?
C11 C12 1.385(3) . ?
C11 H11 0.9500 . ?
C14 C15 1.395(3) . ?
C14 C19 1.413(2) . ?
C15 C16 1.385(3) . ?
C15 H15 0.9500 . ?
C16 C17 1.404(3) . ?
C16 H16 0.9500 . ?
C17 C18 1.389(3) . ?
C17 H17 0.9500 . ?
C18 C19 1.391(3) . ?
C18 H18 0.9500 . ?
C20 C21 1.391(3) . ?
C20 C25 1.400(3) . ?
C21 C22 1.393(3) . ?
C21 H21 0.9500 . ?
C22 C23 1.390(3) . ?
C22 H22 0.9500 . ?
C23 C24 1.392(3) . ?
C23 H23 0.9500 . ?
C24 C25 1.389(3) . ?
C24 H24 0.9500 . ?
C27 C28 1.393(3) . ?
C27 C29 1.397(3) . ?
C28 C29 1.390(3) 3_766 ?
C28 H28 0.9500 . ?
C29 H29 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
C13 Se1 C12 85.15(8) . . ?
C26 Se2 C25 85.73(8) . . ?
C13 N1 C1 104.09(15) . . ?
C13 N2 C6 106.42(15) . . ?
C13 N2 C7 116.42(15) . . ?
C6 N2 C7 137.16(15) . . ?
C26 N3 C14 101.43(15) . . ?
C26 N4 C19 105.94(14) . . ?
C26 N4 C20 117.37(15) . . ?
C19 N4 C20 136.68(15) . . ?
C27 O1 H5A 109.5 . . ?
C2 C1 N1 128.59(17) . . ?
C2 C1 C6 120.49(17) . . ?
N1 C1 C6 110.91(16) . . ?
C3 C2 C1 117.61(17) . . ?
C3 C2 H2 121.2 . . ?
C1 C2 H2 121.2 . . ?
C2 C3 C4 121.37(18) . . ?
C2 C3 H3 119.3 . . ?
C4 C3 H3 119.3 . . ?
C5 C4 C3 121.87(18) . . ?
C5 C4 H4 119.1 . . ?
C3 C4 H4 119.1 . . ?
C4 C5 C6 116.57(17) . . ?
C4 C5 H5 121.7 . . ?
C6 C5 H5 121.7 . . ?
N2 C6 C5 133.49(17) . . ?
N2 C6 C1 104.39(15) . . ?
C5 C6 C1 122.10(17) . . ?
C8 C7 C12 120.70(17) . . ?
C8 C7 N2 126.41(17) . . ?
C12 C7 N2 112.87(16) . . ?
C7 C8 C9 118.21(18) . . ?
C7 C8 H8 120.9 . . ?
C9 C8 H8 120.9 . . ?
C8 C9 C10 120.87(18) . . ?
C8 C9 H9 119.6 . . ?
C10 C9 H9 119.6 . . ?
C11 C10 C9 121.06(18) . . ?
C11 C10 H10 119.5 . . ?
C9 C10 H10 119.5 . . ?
C12 C11 C10 118.13(18) . . ?
C12 C11 H11 120.9 . . ?
C10 C11 H11 120.9 . . ?
C11 C12 C7 121.01(17) . . ?
C11 C12 Se1 126.23(15) . . ?
C7 C12 Se1 112.76(13) . . ?
N1 C13 N2 114.18(16) . . ?
N1 C13 Se1 133.07(14) . . ?
N2 C13 Se1 112.70(13) . . ?
C15 C14 C19 119.97(17) . . ?
C15 C14 N3 127.66(17) . . ?
C19 C14 N3 112.36(15) . . ?
C16 C15 C14 117.71(17) . . ?
C16 C15 H15 121.1 . . ?
C14 C15 H15 121.1 . . ?
C15 C16 C17 121.69(17) . . ?
C15 C16 H16 119.2 . . ?
C17 C16 H16 119.2 . . ?
C18 C17 C16 121.58(18) . . ?
C18 C17 H17 119.2 . . ?
C16 C17 H17 119.2 . . ?
C17 C18 C19 116.45(17) . . ?
C17 C18 H18 121.8 . . ?
C19 C18 H18 121.8 . . ?
C18 C19 N4 133.06(17) . . ?
C18 C19 C14 122.57(16) . . ?
N4 C19 C14 104.37(15) . . ?
C21 C20 C25 120.46(17) . . ?
C21 C20 N4 126.69(17) . . ?
C25 C20 N4 112.84(16) . . ?
C20 C21 C22 118.61(17) . . ?
C20 C21 H21 120.7 . . ?
C22 C21 H21 120.7 . . ?
C23 C22 C21 120.80(18) . . ?
C23 C22 H22 119.6 . . ?
C21 C22 H22 119.6 . . ?
C22 C23 C24 120.76(17) . . ?
C22 C23 H23 119.6 . . ?
C24 C23 H23 119.6 . . ?
C25 C24 C23 118.57(17) . . ?
C25 C24 H24 120.7 . . ?
C23 C24 H24 120.7 . . ?
C24 C25 C20 120.77(17) . . ?
C24 C25 Se2 126.80(14) . . ?
C20 C25 Se2 112.43(13) . . ?
N3 C26 N4 115.89(16) . . ?
N3 C26 Se2 132.50(14) . . ?
N4 C26 Se2 111.61(12) . . ?
O1 C27 C28 118.17(17) . . ?
O1 C27 C29 122.86(17) . . ?
C28 C27 C29 118.97(18) . . ?
C29 C28 C27 120.27(18) 3_766 . ?
C29 C28 H28 119.9 3_766 . ?
C27 C28 H28 119.9 . . ?
C28 C29 C27 120.75(17) 3_766 . ?
C28 C29 H29 119.6 3_766 . ?
C27 C29 H29 119.6 . . ?
 
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
C13 N1 C1 C2 -178.20(19) . . . . ?
C13 N1 C1 C6 0.3(2) . . . . ?
N1 C1 C2 C3 177.78(18) . . . . ?
C6 C1 C2 C3 -0.6(3) . . . . ?
C1 C2 C3 C4 0.5(3) . . . . ?
C2 C3 C4 C5 0.0(3) . . . . ?
C3 C4 C5 C6 -0.3(3) . . . . ?
C13 N2 C6 C5 177.7(2) . . . . ?
C7 N2 C6 C5 -2.9(4) . . . . ?
C13 N2 C6 C1 -0.52(19) . . . . ?
C7 N2 C6 C1 178.88(19) . . . . ?
C4 C5 C6 N2 -177.81(19) . . . . ?
C4 C5 C6 C1 0.2(3) . . . . ?
C2 C1 C6 N2 178.80(16) . . . . ?
N1 C1 C6 N2 0.1(2) . . . . ?
C2 C1 C6 C5 0.3(3) . . . . ?
N1 C1 C6 C5 -178.37(17) . . . . ?
C13 N2 C7 C8 176.65(18) . . . . ?
C6 N2 C7 C8 -2.7(3) . . . . ?
C13 N2 C7 C12 -2.0(2) . . . . ?
C6 N2 C7 C12 178.65(19) . . . . ?
C12 C7 C8 C9 0.1(3) . . . . ?
N2 C7 C8 C9 -178.46(17) . . . . ?
C7 C8 C9 C10 -0.7(3) . . . . ?
C8 C9 C10 C11 0.2(3) . . . . ?
C9 C10 C11 C12 0.8(3) . . . . ?
C10 C11 C12 C7 -1.4(3) . . . . ?
C10 C11 C12 Se1 178.68(14) . . . . ?
C8 C7 C12 C11 1.0(3) . . . . ?
N2 C7 C12 C11 179.72(16) . . . . ?
C8 C7 C12 Se1 -179.10(14) . . . . ?
N2 C7 C12 Se1 -0.36(19) . . . . ?
C1 N1 C13 N2 -0.7(2) . . . . ?
C1 N1 C13 Se1 176.57(15) . . . . ?
C6 N2 C13 N1 0.8(2) . . . . ?
C7 N2 C13 N1 -178.73(15) . . . . ?
C6 N2 C13 Se1 -177.03(12) . . . . ?
C7 N2 C13 Se1 3.4(2) . . . . ?
C12 Se1 C13 N1 179.9(2) . . . . ?
C12 Se1 C13 N2 -2.83(13) . . . . ?
C26 N3 C14 C15 -178.51(19) . . . . ?
C26 N3 C14 C19 0.2(2) . . . . ?
C19 C14 C15 C16 0.5(3) . . . . ?
N3 C14 C15 C16 179.18(18) . . . . ?
C14 C15 C16 C17 0.9(3) . . . . ?
C15 C16 C17 C18 -1.1(3) . . . . ?
C16 C17 C18 C19 -0.2(3) . . . . ?
C17 C18 C19 N4 -178.68(18) . . . . ?
C17 C18 C19 C14 1.7(3) . . . . ?
C26 N4 C19 C18 -179.2(2) . . . . ?
C20 N4 C19 C18 1.7(4) . . . . ?
C26 N4 C19 C14 0.47(19) . . . . ?
C20 N4 C19 C14 -178.67(19) . . . . ?
C15 C14 C19 C18 -1.9(3) . . . . ?
N3 C14 C19 C18 179.25(16) . . . . ?
C15 C14 C19 N4 178.40(16) . . . . ?
N3 C14 C19 N4 -0.5(2) . . . . ?
C26 N4 C20 C21 -178.02(18) . . . . ?
C19 N4 C20 C21 1.1(3) . . . . ?
C26 N4 C20 C25 1.7(2) . . . . ?
C19 N4 C20 C25 -179.26(19) . . . . ?
C25 C20 C21 C22 1.9(3) . . . . ?
N4 C20 C21 C22 -178.46(17) . . . . ?
C20 C21 C22 C23 -0.7(3) . . . . ?
C21 C22 C23 C24 -0.6(3) . . . . ?
C22 C23 C24 C25 0.6(3) . . . . ?
C23 C24 C25 C20 0.6(3) . . . . ?
C23 C24 C25 Se2 -179.89(15) . . . . ?
C21 C20 C25 C24 -1.8(3) . . . . ?
N4 C20 C25 C24 178.44(16) . . . . ?
C21 C20 C25 Se2 178.56(14) . . . . ?
N4 C20 C25 Se2 -1.1(2) . . . . ?
C14 N3 C26 N4 0.1(2) . . . . ?
C14 N3 C26 Se2 -179.50(15) . . . . ?
C19 N4 C26 N3 -0.4(2) . . . . ?
C20 N4 C26 N3 178.97(15) . . . . ?
C19 N4 C26 Se2 179.30(11) . . . . ?
C20 N4 C26 Se2 -1.4(2) . . . . ?
C25 Se2 C26 N3 -179.87(19) . . . . ?
C25 Se2 C26 N4 0.53(13) . . . . ?
O1 C27 C28 C29 179.87(16) . . . 3_766 ?
C29 C27 C28 C29 0.0(3) . . . 3_766 ?
O1 C27 C29 C28 -179.86(17) . . . 3_766 ?
C28 C27 C29 C28 -0.1(3) . . . 3_766 ?
 
_refine_diff_density_max    0.648
_refine_diff_density_min   -0.477
_refine_diff_density_rms    0.072



