data_publication_text
_publ_requested_journal          'Beilstein J.Org.Chem.'
_publ_contact_author_name        'Matthew T. Whited'
_publ_contact_author_address     
;1 N. College St.
Northfield, MN 55057
;
_publ_contact_author_email       mwhited@carleton.edu
_publ_contact_author_phone       1(507)2224530
_publ_contact_author_fax         1(507)2224400
loop_
_publ_author_name
_publ_author_address
'Whited, Matthew T.'
;1 N. College St.
Northfield, MN 55057
;

 
data_mtw106abs 
  
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          'C64 H100 Ag2 F6 Ir2 N2 O8 P4 S2'
_chemical_formula_sum             'C64 H100 Ag2 F6 Ir2 N2 O8 P4 S2' 
_chemical_formula_weight          1927.60 
  
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' 
 'F'  'F'   0.0171   0.0103 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'P'  'P'   0.1023   0.0942 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'S'  'S'   0.1246   0.1234 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Ag'  'Ag'  -0.8971   1.1015 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Ir'  'Ir'  -1.4442   7.9887 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
  
_symmetry_cell_setting            Monoclinic 
_symmetry_space_group_name_H-M    P2(1)/c 
_symmetry_space_group_name_Hall   -P2ybc
  
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x, y+1/2, -z+1/2' 
 '-x, -y, -z' 
 'x, -y-1/2, z-1/2' 
  
_cell_length_a                    13.8087(13) 
_cell_length_b                    18.1428(14) 
_cell_length_c                    15.5037(13) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  103.271(3) 
_cell_angle_gamma                 90.00 
_cell_volume                      3780.4(6) 
_cell_formula_units_Z             2 
_cell_measurement_temperature     100(2) 
_cell_measurement_reflns_used     9980 
_cell_measurement_theta_min       2.25 
_cell_measurement_theta_max       21.95 
  
_exptl_crystal_description        plate 
_exptl_crystal_colour             red 
_exptl_crystal_size_max           0.14 
_exptl_crystal_size_mid           0.058 
_exptl_crystal_size_min           0.022 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.693 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              1912 
_exptl_absorpt_coefficient_mu     4.223 
_exptl_absorpt_correction_type    multi-scan 
_exptl_absorpt_correction_T_min   0.751
_exptl_absorpt_correction_T_max   0.911 
_exptl_absorpt_process_details    'Bruker SADABS'
  
_exptl_special_details 
; 
 ? 
; 
  
_diffrn_ambient_temperature       100(2) 
_diffrn_radiation_wavelength      0.71073 
_diffrn_radiation_type            MoK\a 
_diffrn_radiation_source          'fine-focus sealed tube' 
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_device_type   'Bruker APEX-II CCD' 
_diffrn_measurement_method        'φ and ω scans' 
_diffrn_detector_area_resol_mean  ? 
_diffrn_reflns_number             74137 
_diffrn_reflns_av_R_equivalents   0.0836 
_diffrn_reflns_av_sigmaI/netI     0.0429 
_diffrn_reflns_limit_h_min        -15 
_diffrn_reflns_limit_h_max        15 
_diffrn_reflns_limit_k_min        -20 
_diffrn_reflns_limit_k_max        20 
_diffrn_reflns_limit_l_min        -17 
_diffrn_reflns_limit_l_max        17 
_diffrn_reflns_theta_min          1.76 
_diffrn_reflns_theta_max          23.32 
_reflns_number_total              5454 
_reflns_number_gt                 4066 
_reflns_threshold_expression      >2sigma(I) 
  
_computing_data_collection        'Bruker APEX2' 
_computing_cell_refinement        'Bruker SAINT' 
_computing_data_reduction         'Bruker SAINT' 
_computing_structure_solution     'SHELXS-97 (Sheldrick, 2008)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 2008)' 
_computing_molecular_graphics     'Bruker SHELXTL' 
_computing_publication_material   'Bruker SHELXTL' 
  
_refine_special_details 
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
; 
  
_refine_ls_structure_factor_coef  Fsqd 
_refine_ls_matrix_type            full 
_refine_ls_weighting_scheme       calc 
_refine_ls_weighting_details 
 'calc w=1/[σ²(Fo²)+(0.0000P)²+0.0000P] where P=(Fo²+2Fc²)/3' 
_atom_sites_solution_primary      direct 
_atom_sites_solution_secondary    difmap 
_atom_sites_solution_hydrogens    geom 
_refine_ls_hydrogen_treatment     constr
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        ? 
_refine_ls_number_reflns          5454 
_refine_ls_number_parameters      419 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0655 
_refine_ls_R_factor_gt            0.0324 
_refine_ls_wR_factor_ref          0.0478 
_refine_ls_wR_factor_gt           0.0457 
_refine_ls_goodness_of_fit_ref    1.977 
_refine_ls_restrained_S_all       1.977 
_refine_ls_shift/su_max           0.001 
_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_symmetry_multiplicity 
 _atom_site_calc_flag 
 _atom_site_refinement_flags 
 _atom_site_disorder_assembly 
 _atom_site_disorder_group 
Ir1 Ir 0.188823(18) 0.043432(13) 0.219428(16) 0.02219(8) Uani 1 1 d . . . 
Ag1 Ag 0.35636(3) 0.00841(2) 0.33483(3) 0.02989(15) Uani 1 1 d . . . 
P1 P 0.26004(12) 0.15415(9) 0.19507(11) 0.0251(5) Uani 1 1 d . . . 
P2 P 0.08339(11) -0.04628(9) 0.24811(10) 0.0230(4) Uani 1 1 d . . . 
N1 N 0.0637(3) 0.1055(2) 0.1987(3) 0.0217(13) Uani 1 1 d . . . 
S1 S 0.55733(14) -0.10400(10) 0.44556(11) 0.0385(5) Uani 1 1 d . . . 
O1 O 0.2721(3) -0.0954(2) 0.1773(3) 0.0354(12) Uani 1 1 d . . . 
O2 O 0.4981(3) -0.0615(2) 0.3733(3) 0.0488(14) Uani 1 1 d . . . 
O3 O 0.5879(3) -0.0657(2) 0.5284(3) 0.0618(17) Uani 1 1 d . . . 
O4 O 0.6336(3) -0.1481(2) 0.4220(3) 0.0443(13) Uani 1 1 d . . . 
F1 F 0.4290(3) -0.2104(2) 0.3945(3) 0.0637(14) Uani 1 1 d . . . 
F2 F 0.5149(3) -0.2209(2) 0.5258(3) 0.0801(16) Uani 1 1 d . . . 
F3 F 0.3984(3) -0.1391(3) 0.4974(3) 0.0838(16) Uani 1 1 d . . . 
C1 C 0.0595(5) 0.1704(3) 0.1453(4) 0.0209(16) Uani 1 1 d . . . 
C2 C -0.0285(4) 0.2004(3) 0.0928(4) 0.0221(16) Uani 1 1 d . . . 
H2 H -0.0894 0.1787 0.0934 0.027 Uiso 1 1 calc R . . 
C3 C -0.0256(5) 0.2611(3) 0.0407(4) 0.0233(17) Uani 1 1 d . . . 
H3 H -0.0851 0.2791 0.0062 0.028 Uiso 1 1 calc R . . 
C4 C 0.0616(5) 0.2967(3) 0.0371(4) 0.0251(17) Uani 1 1 d . . . 
C5 C 0.1494(4) 0.2664(3) 0.0864(4) 0.0207(16) Uani 1 1 d . . . 
H5 H 0.2098 0.2885 0.0850 0.025 Uiso 1 1 calc R . . 
C6 C 0.1488(4) 0.2034(3) 0.1382(4) 0.0205(16) Uani 1 1 d . . . 
C7 C 0.0643(4) 0.3647(3) -0.0173(4) 0.0335(18) Uani 1 1 d . . . 
H7A H 0.0309 0.3553 -0.0777 0.050 Uiso 1 1 calc R . . 
H7B H 0.1322 0.3781 -0.0146 0.050 Uiso 1 1 calc R . . 
H7C H 0.0315 0.4044 0.0056 0.050 Uiso 1 1 calc R . . 
C8 C -0.0185(5) 0.0837(3) 0.2309(4) 0.0191(16) Uani 1 1 d . . . 
C9 C -0.0943(5) 0.1296(3) 0.2458(4) 0.0266(17) Uani 1 1 d . . . 
H9 H -0.0918 0.1796 0.2330 0.032 Uiso 1 1 calc R . . 
C10 C -0.1725(4) 0.1039(3) 0.2786(4) 0.0272(16) Uani 1 1 d . . . 
H10 H -0.2219 0.1364 0.2860 0.033 Uiso 1 1 calc R . . 
C11 C -0.1789(5) 0.0305(3) 0.3008(4) 0.0263(16) Uani 1 1 d . . . 
C12 C -0.1015(4) -0.0148(3) 0.2916(4) 0.0229(16) Uani 1 1 d . . . 
H12 H -0.1023 -0.0639 0.3088 0.028 Uiso 1 1 calc R . . 
C13 C -0.0226(4) 0.0096(3) 0.2577(4) 0.0201(16) Uani 1 1 d . . . 
C14 C -0.2668(4) 0.0022(3) 0.3332(4) 0.0362(18) Uani 1 1 d . . . 
H14A H -0.3145 -0.0190 0.2846 0.054 Uiso 1 1 calc R . . 
H14B H -0.2971 0.0422 0.3580 0.054 Uiso 1 1 calc R . . 
H14C H -0.2450 -0.0347 0.3779 0.054 Uiso 1 1 calc R . . 
C15 C 0.3108(5) 0.2078(3) 0.2970(4) 0.0261(17) Uani 1 1 d . . . 
H15 H 0.3763 0.1873 0.3245 0.031 Uiso 1 1 calc R . . 
C16 C 0.2449(4) 0.1982(3) 0.3614(4) 0.0318(18) Uani 1 1 d . . . 
H16A H 0.2712 0.2264 0.4140 0.048 Uiso 1 1 calc R . . 
H16B H 0.2427 0.1471 0.3767 0.048 Uiso 1 1 calc R . . 
H16C H 0.1790 0.2150 0.3347 0.048 Uiso 1 1 calc R . . 
C17 C 0.3249(5) 0.2895(3) 0.2796(4) 0.0394(19) Uani 1 1 d . . . 
H17A H 0.2616 0.3112 0.2531 0.059 Uiso 1 1 calc R . . 
H17B H 0.3689 0.2948 0.2402 0.059 Uiso 1 1 calc R . . 
H17C H 0.3530 0.3139 0.3346 0.059 Uiso 1 1 calc R . . 
C18 C 0.3499(4) 0.1651(3) 0.1258(4) 0.0286(17) Uani 1 1 d . . . 
H18 H 0.3566 0.2181 0.1163 0.034 Uiso 1 1 calc R . . 
C19 C 0.4530(4) 0.1364(3) 0.1720(4) 0.0390(19) Uani 1 1 d . . . 
H19A H 0.4486 0.0850 0.1853 0.058 Uiso 1 1 calc R . . 
H19B H 0.4772 0.1633 0.2259 0.058 Uiso 1 1 calc R . . 
H19C H 0.4980 0.1428 0.1336 0.058 Uiso 1 1 calc R . . 
C20 C 0.3128(5) 0.1298(3) 0.0347(4) 0.0396(19) Uani 1 1 d . . . 
H20A H 0.3607 0.1377 -0.0004 0.059 Uiso 1 1 calc R . . 
H20B H 0.2505 0.1517 0.0057 0.059 Uiso 1 1 calc R . . 
H20C H 0.3037 0.0778 0.0416 0.059 Uiso 1 1 calc R . . 
C21 C 0.1140(4) -0.1016(3) 0.3497(4) 0.0233(16) Uani 1 1 d . . . 
H21 H 0.0534 -0.1271 0.3558 0.028 Uiso 1 1 calc R . . 
C22 C 0.1934(4) -0.1606(3) 0.3442(4) 0.0306(18) Uani 1 1 d . . . 
H22A H 0.2514 -0.1371 0.3326 0.046 Uiso 1 1 calc R . . 
H22B H 0.1669 -0.1946 0.2973 0.046 Uiso 1 1 calc R . . 
H22C H 0.2113 -0.1868 0.3994 0.046 Uiso 1 1 calc R . . 
C23 C 0.1484(4) -0.0523(3) 0.4307(4) 0.0355(18) Uani 1 1 d . . . 
H23A H 0.1602 -0.0819 0.4834 0.053 Uiso 1 1 calc R . . 
H23B H 0.0980 -0.0164 0.4328 0.053 Uiso 1 1 calc R . . 
H23C H 0.2088 -0.0277 0.4269 0.053 Uiso 1 1 calc R . . 
C24 C 0.0350(4) -0.1120(3) 0.1584(4) 0.0249(17) Uani 1 1 d . . . 
H24 H 0.0914 -0.1420 0.1504 0.030 Uiso 1 1 calc R . . 
C25 C -0.0019(5) -0.0688(3) 0.0732(4) 0.0371(19) Uani 1 1 d . . . 
H25A H -0.0275 -0.1024 0.0255 0.056 Uiso 1 1 calc R . . 
H25B H 0.0523 -0.0413 0.0599 0.056 Uiso 1 1 calc R . . 
H25C H -0.0536 -0.0356 0.0803 0.056 Uiso 1 1 calc R . . 
C26 C -0.0444(4) -0.1650(3) 0.1746(4) 0.0329(18) Uani 1 1 d . . . 
H26A H -0.1044 -0.1382 0.1746 0.049 Uiso 1 1 calc R . . 
H26B H -0.0214 -0.1887 0.2310 0.049 Uiso 1 1 calc R . . 
H26C H -0.0576 -0.2015 0.1286 0.049 Uiso 1 1 calc R . . 
C27 C 0.2836(4) -0.0210(3) 0.1854(4) 0.0310(19) Uani 1 1 d . . . 
H27 H 0.3180 0.0009 0.1430 0.037 Uiso 1 1 calc R . . 
C28 C 0.3259(5) -0.1365(4) 0.1192(5) 0.044(2) Uani 1 1 d . . . 
C29 C 0.2846(5) -0.1136(4) 0.0242(4) 0.056(2) Uani 1 1 d . . . 
H29A H 0.2132 -0.1155 0.0113 0.084 Uiso 1 1 calc R . . 
H29B H 0.3086 -0.1465 -0.0147 0.084 Uiso 1 1 calc R . . 
H29C H 0.3057 -0.0643 0.0156 0.084 Uiso 1 1 calc R . . 
C30 C 0.4364(5) -0.1222(4) 0.1495(5) 0.062(3) Uani 1 1 d . . . 
H30A H 0.4510 -0.0734 0.1322 0.093 Uiso 1 1 calc R . . 
H30B H 0.4722 -0.1576 0.1227 0.093 Uiso 1 1 calc R . . 
H30C H 0.4562 -0.1266 0.2128 0.093 Uiso 1 1 calc R . . 
C31 C 0.3019(5) -0.2168(4) 0.1356(5) 0.064(2) Uani 1 1 d . . . 
H31A H 0.3263 -0.2283 0.1972 0.096 Uiso 1 1 calc R . . 
H31B H 0.3331 -0.2485 0.1005 0.096 Uiso 1 1 calc R . . 
H31C H 0.2312 -0.2240 0.1195 0.096 Uiso 1 1 calc R . . 
C32 C 0.4720(6) -0.1704(5) 0.4662(5) 0.062(3) Uani 1 1 d . . . 
  
  
_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 
Ir1 C27 1.917(6) . ? 
Ir1 N1 2.025(5) . ? 
Ir1 P2 2.2942(17) . ? 
Ir1 P1 2.3055(17) . ? 
Ir1 Ag1 2.6564(5) . ? 
Ag1 O2 2.293(4) . ? 
Ag1 O3 2.328(4) 3_656 ? 
Ag1 C27 2.365(6) . ? 
P1 C6 1.820(6) . ? 
P1 C18 1.828(7) . ? 
P1 C15 1.851(5) . ? 
P2 C13 1.814(6) . ? 
P2 C21 1.832(6) . ? 
P2 C24 1.838(5) . ? 
N1 C8 1.398(7) . ? 
N1 C1 1.432(7) . ? 
S1 O4 1.435(4) . ? 
S1 O3 1.436(4) . ? 
S1 O2 1.449(4) . ? 
S1 C32 1.765(9) . ? 
O1 C27 1.361(6) . ? 
O1 C28 1.492(8) . ? 
O3 Ag1 2.328(4) 3_656 ? 
F1 C32 1.345(8) . ? 
F2 C32 1.339(7) . ? 
F3 C32 1.347(9) . ? 
C1 C6 1.398(8) . ? 
C1 C2 1.408(7) . ? 
C2 C3 1.373(7) . ? 
C2 H2 0.9300 . ? 
C3 C4 1.378(8) . ? 
C3 H3 0.9300 . ? 
C4 C5 1.390(7) . ? 
C4 C7 1.500(7) . ? 
C5 C6 1.399(7) . ? 
C5 H5 0.9300 . ? 
C7 H7A 0.9600 . ? 
C7 H7B 0.9600 . ? 
C7 H7C 0.9600 . ? 
C8 C9 1.397(8) . ? 
C8 C13 1.412(7) . ? 
C9 C10 1.377(8) . ? 
C9 H9 0.9300 . ? 
C10 C11 1.383(7) . ? 
C10 H10 0.9300 . ? 
C11 C12 1.382(7) . ? 
C11 C14 1.507(8) . ? 
C12 C13 1.386(8) . ? 
C12 H12 0.9300 . ? 
C14 H14A 0.9600 . ? 
C14 H14B 0.9600 . ? 
C14 H14C 0.9600 . ? 
C15 C16 1.508(8) . ? 
C15 C17 1.527(7) . ? 
C15 H15 0.9800 . ? 
C16 H16A 0.9600 . ? 
C16 H16B 0.9600 . ? 
C16 H16C 0.9600 . ? 
C17 H17A 0.9600 . ? 
C17 H17B 0.9600 . ? 
C17 H17C 0.9600 . ? 
C18 C20 1.529(7) . ? 
C18 C19 1.531(7) . ? 
C18 H18 0.9800 . ? 
C19 H19A 0.9600 . ? 
C19 H19B 0.9600 . ? 
C19 H19C 0.9600 . ? 
C20 H20A 0.9600 . ? 
C20 H20B 0.9600 . ? 
C20 H20C 0.9600 . ? 
C21 C23 1.526(7) . ? 
C21 C22 1.550(7) . ? 
C21 H21 0.9800 . ? 
C22 H22A 0.9600 . ? 
C22 H22B 0.9600 . ? 
C22 H22C 0.9600 . ? 
C23 H23A 0.9600 . ? 
C23 H23B 0.9600 . ? 
C23 H23C 0.9600 . ? 
C24 C25 1.520(7) . ? 
C24 C26 1.522(8) . ? 
C24 H24 0.9800 . ? 
C25 H25A 0.9600 . ? 
C25 H25B 0.9600 . ? 
C25 H25C 0.9600 . ? 
C26 H26A 0.9600 . ? 
C26 H26B 0.9600 . ? 
C26 H26C 0.9600 . ? 
C27 H27 0.9800 . ? 
C28 C29 1.511(8) . ? 
C28 C30 1.512(8) . ? 
C28 C31 1.528(8) . ? 
C29 H29A 0.9600 . ? 
C29 H29B 0.9600 . ? 
C29 H29C 0.9600 . ? 
C30 H30A 0.9600 . ? 
C30 H30B 0.9600 . ? 
C30 H30C 0.9600 . ? 
C31 H31A 0.9600 . ? 
C31 H31B 0.9600 . ? 
C31 H31C 0.9600 . ? 
  
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 
C27 Ir1 N1 155.1(2) . . ? 
C27 Ir1 P2 97.11(18) . . ? 
N1 Ir1 P2 82.48(14) . . ? 
C27 Ir1 P1 98.22(19) . . ? 
N1 Ir1 P1 82.52(14) . . ? 
P2 Ir1 P1 164.45(6) . . ? 
C27 Ir1 Ag1 59.69(15) . . ? 
N1 Ir1 Ag1 145.00(12) . . ? 
P2 Ir1 Ag1 101.13(4) . . ? 
P1 Ir1 Ag1 88.88(4) . . ? 
O2 Ag1 O3 85.77(14) . 3_656 ? 
O2 Ag1 C27 105.96(18) . . ? 
O3 Ag1 C27 166.02(18) 3_656 . ? 
O2 Ag1 Ir1 150.07(10) . . ? 
O3 Ag1 Ir1 124.16(10) 3_656 . ? 
C27 Ag1 Ir1 44.41(15) . . ? 
C6 P1 C18 105.9(3) . . ? 
C6 P1 C15 105.5(3) . . ? 
C18 P1 C15 105.6(3) . . ? 
C6 P1 Ir1 99.3(2) . . ? 
C18 P1 Ir1 124.3(2) . . ? 
C15 P1 Ir1 114.2(2) . . ? 
C13 P2 C21 105.5(3) . . ? 
C13 P2 C24 105.4(3) . . ? 
C21 P2 C24 105.5(3) . . ? 
C13 P2 Ir1 100.3(2) . . ? 
C21 P2 Ir1 121.58(19) . . ? 
C24 P2 Ir1 116.8(2) . . ? 
C8 N1 C1 120.6(5) . . ? 
C8 N1 Ir1 121.3(4) . . ? 
C1 N1 Ir1 118.0(4) . . ? 
O4 S1 O3 114.5(3) . . ? 
O4 S1 O2 114.6(3) . . ? 
O3 S1 O2 115.6(3) . . ? 
O4 S1 C32 103.0(4) . . ? 
O3 S1 C32 103.9(4) . . ? 
O2 S1 C32 102.8(3) . . ? 
C27 O1 C28 119.2(5) . . ? 
S1 O2 Ag1 142.4(3) . . ? 
S1 O3 Ag1 177.0(3) . 3_656 ? 
C6 C1 C2 116.6(5) . . ? 
C6 C1 N1 118.5(5) . . ? 
C2 C1 N1 124.6(6) . . ? 
C3 C2 C1 120.9(6) . . ? 
C3 C2 H2 119.6 . . ? 
C1 C2 H2 119.6 . . ? 
C2 C3 C4 122.9(5) . . ? 
C2 C3 H3 118.5 . . ? 
C4 C3 H3 118.5 . . ? 
C3 C4 C5 116.9(5) . . ? 
C3 C4 C7 122.9(5) . . ? 
C5 C4 C7 120.2(6) . . ? 
C4 C5 C6 121.3(6) . . ? 
C4 C5 H5 119.3 . . ? 
C6 C5 H5 119.3 . . ? 
C1 C6 C5 121.2(5) . . ? 
C1 C6 P1 114.4(4) . . ? 
C5 C6 P1 124.3(5) . . ? 
C4 C7 H7A 109.5 . . ? 
C4 C7 H7B 109.5 . . ? 
H7A C7 H7B 109.5 . . ? 
C4 C7 H7C 109.5 . . ? 
H7A C7 H7C 109.5 . . ? 
H7B C7 H7C 109.5 . . ? 
C9 C8 N1 126.2(6) . . ? 
C9 C8 C13 115.9(6) . . ? 
N1 C8 C13 117.7(6) . . ? 
C10 C9 C8 122.6(6) . . ? 
C10 C9 H9 118.7 . . ? 
C8 C9 H9 118.7 . . ? 
C9 C10 C11 121.3(6) . . ? 
C9 C10 H10 119.4 . . ? 
C11 C10 H10 119.4 . . ? 
C12 C11 C10 116.8(6) . . ? 
C12 C11 C14 122.3(5) . . ? 
C10 C11 C14 120.9(6) . . ? 
C11 C12 C13 122.9(6) . . ? 
C11 C12 H12 118.6 . . ? 
C13 C12 H12 118.6 . . ? 
C12 C13 C8 120.3(6) . . ? 
C12 C13 P2 124.8(5) . . ? 
C8 C13 P2 114.9(5) . . ? 
C11 C14 H14A 109.5 . . ? 
C11 C14 H14B 109.5 . . ? 
H14A C14 H14B 109.5 . . ? 
C11 C14 H14C 109.5 . . ? 
H14A C14 H14C 109.5 . . ? 
H14B C14 H14C 109.5 . . ? 
C16 C15 C17 110.4(5) . . ? 
C16 C15 P1 109.7(4) . . ? 
C17 C15 P1 113.5(4) . . ? 
C16 C15 H15 107.7 . . ? 
C17 C15 H15 107.7 . . ? 
P1 C15 H15 107.7 . . ? 
C15 C16 H16A 109.5 . . ? 
C15 C16 H16B 109.5 . . ? 
H16A C16 H16B 109.5 . . ? 
C15 C16 H16C 109.5 . . ? 
H16A C16 H16C 109.5 . . ? 
H16B C16 H16C 109.5 . . ? 
C15 C17 H17A 109.5 . . ? 
C15 C17 H17B 109.5 . . ? 
H17A C17 H17B 109.5 . . ? 
C15 C17 H17C 109.5 . . ? 
H17A C17 H17C 109.5 . . ? 
H17B C17 H17C 109.5 . . ? 
C20 C18 C19 111.6(5) . . ? 
C20 C18 P1 111.6(4) . . ? 
C19 C18 P1 111.9(4) . . ? 
C20 C18 H18 107.2 . . ? 
C19 C18 H18 107.2 . . ? 
P1 C18 H18 107.2 . . ? 
C18 C19 H19A 109.5 . . ? 
C18 C19 H19B 109.5 . . ? 
H19A C19 H19B 109.5 . . ? 
C18 C19 H19C 109.5 . . ? 
H19A C19 H19C 109.5 . . ? 
H19B C19 H19C 109.5 . . ? 
C18 C20 H20A 109.5 . . ? 
C18 C20 H20B 109.5 . . ? 
H20A C20 H20B 109.5 . . ? 
C18 C20 H20C 109.5 . . ? 
H20A C20 H20C 109.5 . . ? 
H20B C20 H20C 109.5 . . ? 
C23 C21 C22 111.0(4) . . ? 
C23 C21 P2 110.7(4) . . ? 
C22 C21 P2 111.0(4) . . ? 
C23 C21 H21 108.0 . . ? 
C22 C21 H21 108.0 . . ? 
P2 C21 H21 108.0 . . ? 
C21 C22 H22A 109.5 . . ? 
C21 C22 H22B 109.5 . . ? 
H22A C22 H22B 109.5 . . ? 
C21 C22 H22C 109.5 . . ? 
H22A C22 H22C 109.5 . . ? 
H22B C22 H22C 109.5 . . ? 
C21 C23 H23A 109.5 . . ? 
C21 C23 H23B 109.5 . . ? 
H23A C23 H23B 109.5 . . ? 
C21 C23 H23C 109.5 . . ? 
H23A C23 H23C 109.5 . . ? 
H23B C23 H23C 109.5 . . ? 
C25 C24 C26 111.1(5) . . ? 
C25 C24 P2 108.3(4) . . ? 
C26 C24 P2 115.8(4) . . ? 
C25 C24 H24 107.1 . . ? 
C26 C24 H24 107.1 . . ? 
P2 C24 H24 107.1 . . ? 
C24 C25 H25A 109.5 . . ? 
C24 C25 H25B 109.5 . . ? 
H25A C25 H25B 109.5 . . ? 
C24 C25 H25C 109.5 . . ? 
H25A C25 H25C 109.5 . . ? 
H25B C25 H25C 109.5 . . ? 
C24 C26 H26A 109.5 . . ? 
C24 C26 H26B 109.5 . . ? 
H26A C26 H26B 109.5 . . ? 
C24 C26 H26C 109.5 . . ? 
H26A C26 H26C 109.5 . . ? 
H26B C26 H26C 109.5 . . ? 
O1 C27 Ir1 123.9(5) . . ? 
O1 C27 Ag1 109.2(4) . . ? 
Ir1 C27 Ag1 75.9(2) . . ? 
O1 C27 H27 113.8 . . ? 
Ir1 C27 H27 113.8 . . ? 
Ag1 C27 H27 113.8 . . ? 
O1 C28 C29 108.8(5) . . ? 
O1 C28 C30 109.5(5) . . ? 
C29 C28 C30 112.6(7) . . ? 
O1 C28 C31 102.7(6) . . ? 
C29 C28 C31 112.2(6) . . ? 
C30 C28 C31 110.7(6) . . ? 
C28 C29 H29A 109.5 . . ? 
C28 C29 H29B 109.5 . . ? 
H29A C29 H29B 109.5 . . ? 
C28 C29 H29C 109.5 . . ? 
H29A C29 H29C 109.5 . . ? 
H29B C29 H29C 109.5 . . ? 
C28 C30 H30A 109.5 . . ? 
C28 C30 H30B 109.5 . . ? 
H30A C30 H30B 109.5 . . ? 
C28 C30 H30C 109.5 . . ? 
H30A C30 H30C 109.5 . . ? 
H30B C30 H30C 109.5 . . ? 
C28 C31 H31A 109.5 . . ? 
C28 C31 H31B 109.5 . . ? 
H31A C31 H31B 109.5 . . ? 
C28 C31 H31C 109.5 . . ? 
H31A C31 H31C 109.5 . . ? 
H31B C31 H31C 109.5 . . ? 
F2 C32 F1 104.1(7) . . ? 
F2 C32 F3 106.9(7) . . ? 
F1 C32 F3 107.2(6) . . ? 
F2 C32 S1 112.6(5) . . ? 
F1 C32 S1 113.9(6) . . ? 
F3 C32 S1 111.5(7) . . ? 
  
_diffrn_measured_fraction_theta_max    0.995 
_diffrn_reflns_theta_full              23.32 
_diffrn_measured_fraction_theta_full   0.995 
_refine_diff_density_max    1.380 
_refine_diff_density_min   -0.890 
_refine_diff_density_rms    0.140 
