# Supplementary Material (ESI) for Chemical Communications
# This journal is © The Royal Society of Chemistry 2002

data_roe967x 
_database_code_CSD                  194589

_journal_coden_Cambridge      182


loop_
_publ_author_name
'Herbert W. Roesky'
'Michael Gorol'
'Nadia C. Mosch-Zanetti'
'Mathias Noltemeyer'
'Hans-Georg Schmidt'

_publ_contact_author_name     	'Prof Herbert W. Roesky'  
_publ_contact_author_address 
;
Institut fur Anorganische Chemie der Universtat Gottingen
Tammannstrasse 4
Göttingen
37077
GERMANY
;

_publ_contact_author_email       'Prof Herbert W. Roesky'

_publ_requested_journal       'Chemical Communications'


_publ_section_title		
;
Unprecedented stabilisation of the Ag2(2+)-ion by two 
hydrido-iridium(III) complexes
;



_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
'C58 H64 Ag2 F6 Ir2 O6 P2 S2' 
_chemical_formula_weight          1697.29 

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' 
'Ag'  'Ag'  -0.8971   1.1015 
'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' 
'S'  'S'   0.1246   0.1234 
'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' 
'P'  'P'   0.1023   0.0942 
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 

_symmetry_cell_setting            triclinic 
_symmetry_space_group_name_H-M    P-1 

loop_ 
_symmetry_equiv_pos_as_xyz 
'x, y, z' 
'-x, -y, -z' 

_cell_length_a                    10.130(2) 
_cell_length_b                    11.186(3) 
_cell_length_c                    14.477(4) 
_cell_angle_alpha                 71.179(19) 
_cell_angle_beta                  72.004(11) 
_cell_angle_gamma                 89.714(11) 
_cell_volume                      1468.6(7) 
_cell_formula_units_Z             1 
_cell_measurement_temperature     200(2) 
_cell_measurement_reflns_used     30 
_cell_measurement_theta_min       10 
_cell_measurement_theta_max       12.5 

_exptl_crystal_description        blocks 
_exptl_crystal_colour             'greenish yellow' 
_exptl_crystal_size_max           0.80 
_exptl_crystal_size_mid           0.40 
_exptl_crystal_size_min           0.20 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.919 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              824 
_exptl_absorpt_coefficient_mu     5.366 
_exptl_absorpt_correction_type    'azimuthal scan' 
_exptl_absorpt_correction_T_min   0.0993 
_exptl_absorpt_correction_T_max   0.4133 
_exptl_absorpt_process_details    ? 

_exptl_special_details 
; 
? 
; 

_diffrn_ambient_temperature       200(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   'STOE AED2' 
_diffrn_measurement_method        'profile fit' 
_diffrn_detector_area_resol_mean  ? 
_diffrn_standards_number          3 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   '90 min' 
_diffrn_standards_decay_%         none 
_diffrn_reflns_number             6665 
_diffrn_reflns_av_R_equivalents   0.1175 
_diffrn_reflns_av_sigmaI/netI     0.0495 
_diffrn_reflns_limit_h_min        -11 
_diffrn_reflns_limit_h_max        12 
_diffrn_reflns_limit_k_min        -12 
_diffrn_reflns_limit_k_max        13 
_diffrn_reflns_limit_l_min        -15 
_diffrn_reflns_limit_l_max        17 
_diffrn_reflns_theta_min          3.65 
_diffrn_reflns_theta_max          25.02 
_reflns_number_total              5154 
_reflns_number_gt                 4822 
_reflns_threshold_expression      >2sigma(I) 

_computing_data_collection        DIF4 
_computing_cell_refinement        DIF4 
_computing_data_reduction         REDU4 
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)' 
_computing_molecular_graphics     SHELXTL 
_computing_publication_material   SHELXTL 

_refine_special_details 
; 
Refinement of F^2^ against ALL reflections.  The weighted R-factor wR and 
goodness of fit S are based on F^2^, conventional R-factors R are based 
on F, with F set to zero for negative F^2^. The threshold expression of 
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is 
not relevant to the choice of reflections for refinement.  R-factors based 
on F^2^ 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/[\s^2^(Fo^2^)+(0.0510P)^2^+10.6000P] where P=(Fo^2^+2Fc^2^)/3' 
_atom_sites_solution_primary      direct 
_atom_sites_solution_secondary    difmap 
_atom_sites_solution_hydrogens    geom 
_refine_ls_hydrogen_treatment     mixed 
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        ? 
_refine_ls_number_reflns          5154 
_refine_ls_number_parameters      357 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0438 
_refine_ls_R_factor_gt            0.0404 
_refine_ls_wR_factor_ref          0.1074 
_refine_ls_wR_factor_gt           0.1041 
_refine_ls_goodness_of_fit_ref    1.054 
_refine_ls_restrained_S_all       1.054 
_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 0.52639(3) 0.80895(2) 0.65751(2) 0.02402(11) Uani 1 1 d . . . 
Ag1 Ag 0.58955(6) 1.07017(5) 0.51670(5) 0.03480(16) Uani 1 1 d . . . 
S1 S 0.7621(2) 1.20035(18) 0.61918(16) 0.0353(4) Uani 1 1 d . . . 
P1 P 0.3556(2) 0.78735(17) 0.80772(14) 0.0258(4) Uani 1 1 d . . . 
F1 F 0.7949(8) 1.4380(6) 0.5018(7) 0.100(3) Uani 1 1 d . . . 
F2 F 0.9835(6) 1.3631(6) 0.5187(6) 0.080(2) Uani 1 1 d . . . 
F3 F 0.8348(8) 1.4097(6) 0.6416(6) 0.090(2) Uani 1 1 d . . . 
O1 O 0.8305(8) 1.1336(7) 0.6891(6) 0.0601(18) Uani 1 1 d . . . 
O2 O 0.6186(6) 1.2151(6) 0.6645(5) 0.0477(15) Uani 1 1 d . . . 
O3 O 0.7927(8) 1.1664(7) 0.5267(5) 0.064(2) Uani 1 1 d . . . 
C1 C 0.6287(9) 0.7013(7) 0.5530(6) 0.0313(16) Uani 1 1 d . . . 
C2 C 0.7322(8) 0.7931(7) 0.5473(6) 0.0330(16) Uani 1 1 d . . . 
C3 C 0.7454(8) 0.7616(7) 0.6488(6) 0.0292(15) Uani 1 1 d . . . 
C4 C 0.6514(8) 0.6518(7) 0.7143(6) 0.0310(16) Uani 1 1 d . . . 
C5 C 0.5776(8) 0.6152(7) 0.6550(6) 0.0298(16) Uani 1 1 d . . . 
C1* C 0.5955(10) 0.6877(8) 0.4623(7) 0.042(2) Uani 1 1 d . . . 
H1*A H 0.6536 0.6274 0.4369 0.062 Uiso 1 1 calc R . . 
H1*B H 0.6143 0.7705 0.4073 0.062 Uiso 1 1 calc R . . 
H1*C H 0.4968 0.6563 0.4837 0.062 Uiso 1 1 calc R . . 
C2* C 0.8251(9) 0.8922(8) 0.4505(6) 0.0401(19) Uani 1 1 d . . . 
H2*A H 0.9079 0.8551 0.4197 0.060 Uiso 1 1 calc R . . 
H2*B H 0.8539 0.9637 0.4676 0.060 Uiso 1 1 calc R . . 
H2*C H 0.7740 0.9223 0.4013 0.060 Uiso 1 1 calc R . . 
C3* C 0.8567(9) 0.8214(9) 0.6744(8) 0.045(2) Uani 1 1 d . . . 
H3*A H 0.9481 0.7979 0.6412 0.067 Uiso 1 1 calc R . . 
H3*B H 0.8368 0.7910 0.7494 0.067 Uiso 1 1 calc R . . 
H3*C H 0.8576 0.9140 0.6494 0.067 Uiso 1 1 calc R . . 
C4* C 0.6439(11) 0.5728(8) 0.8229(7) 0.044(2) Uani 1 1 d . . . 
H4*A H 0.6889 0.4952 0.8220 0.067 Uiso 1 1 calc R . . 
H4*B H 0.5460 0.5503 0.8667 0.067 Uiso 1 1 calc R . . 
H4*C H 0.6921 0.6219 0.8504 0.067 Uiso 1 1 calc R . . 
C5* C 0.4796(10) 0.4960(7) 0.6927(7) 0.042(2) Uani 1 1 d . . . 
H5*A H 0.5334 0.4250 0.6841 0.063 Uiso 1 1 calc R . . 
H5*B H 0.4152 0.5083 0.6527 0.063 Uiso 1 1 calc R . . 
H5*C H 0.4263 0.4771 0.7658 0.063 Uiso 1 1 calc R . . 
C10 C 0.8482(11) 1.3601(9) 0.5678(9) 0.057(3) Uani 1 1 d . . . 
C11 C 0.2461(8) 0.6363(7) 0.8541(6) 0.0318(16) Uani 1 1 d . . . 
C12 C 0.1730(9) 0.6159(9) 0.7914(7) 0.043(2) Uani 1 1 d . . . 
H12A H 0.1749 0.6815 0.7298 0.051 Uiso 1 1 calc R . . 
C13 C 0.0974(10) 0.4979(10) 0.8209(9) 0.055(3) Uani 1 1 d . . . 
H13A H 0.0454 0.4846 0.7800 0.066 Uiso 1 1 calc R . . 
C14 C 0.0974(11) 0.4018(9) 0.9075(9) 0.056(3) Uani 1 1 d . . . 
H14A H 0.0465 0.3218 0.9260 0.068 Uiso 1 1 calc R . . 
C15 C 0.1712(11) 0.4208(8) 0.9683(8) 0.051(2) Uani 1 1 d . . . 
H15A H 0.1718 0.3537 1.0284 0.061 Uiso 1 1 calc R . . 
C16 C 0.2443(9) 0.5374(8) 0.9414(7) 0.0400(19) Uani 1 1 d . . . 
H16A H 0.2943 0.5499 0.9839 0.048 Uiso 1 1 calc R . . 
C21 C 0.4077(8) 0.7930(7) 0.9159(6) 0.0279(15) Uani 1 1 d . . . 
C22 C 0.3099(9) 0.7704(8) 1.0137(6) 0.0381(18) Uani 1 1 d . . . 
H22A H 0.2154 0.7444 1.0252 0.046 Uiso 1 1 calc R . . 
C23 C 0.3468(11) 0.7847(8) 1.0940(6) 0.046(2) Uani 1 1 d . . . 
H23A H 0.2781 0.7709 1.1594 0.055 Uiso 1 1 calc R . . 
C24 C 0.4853(11) 0.8196(9) 1.0781(7) 0.049(2) Uani 1 1 d . . . 
H24A H 0.5126 0.8257 1.1337 0.059 Uiso 1 1 calc R . . 
C25 C 0.5821(10) 0.8450(9) 0.9833(8) 0.048(2) Uani 1 1 d . . . 
H25A H 0.6755 0.8733 0.9729 0.058 Uiso 1 1 calc R . . 
C26 C 0.5477(9) 0.8307(8) 0.9008(7) 0.0356(17) Uani 1 1 d . . . 
H26A H 0.6175 0.8461 0.8356 0.043 Uiso 1 1 calc R . . 
C31 C 0.2350(8) 0.9092(7) 0.8081(5) 0.0288(15) Uani 1 1 d . . . 
C32 C 0.0920(9) 0.8870(8) 0.8262(6) 0.0366(18) Uani 1 1 d . . . 
H32A H 0.0524 0.8052 0.8360 0.044 Uiso 1 1 calc R . . 
C33 C 0.0084(10) 0.9849(9) 0.8299(7) 0.047(2) Uani 1 1 d . . . 
H33A H -0.0879 0.9702 0.8395 0.056 Uiso 1 1 calc R . . 
C34 C 0.0618(10) 1.1035(9) 0.8201(7) 0.048(2) Uani 1 1 d . . . 
H34A H 0.0025 1.1688 0.8248 0.057 Uiso 1 1 calc R . . 
C35 C 0.2026(10) 1.1257(8) 0.8033(7) 0.043(2) Uani 1 1 d . . . 
H35A H 0.2404 1.2067 0.7969 0.052 Uiso 1 1 calc R . . 
C36 C 0.2885(9) 1.0312(7) 0.7958(6) 0.0347(17) Uani 1 1 d . . . 
H36A H 0.3857 1.0487 0.7821 0.042 Uiso 1 1 calc R . . 

loop_ 
_atom_site_aniso_label 
_atom_site_aniso_U_11 
_atom_site_aniso_U_22 
_atom_site_aniso_U_33 
_atom_site_aniso_U_23 
_atom_site_aniso_U_13 
_atom_site_aniso_U_12 
Ir1 0.02199(17) 0.02751(16) 0.02480(16) -0.01319(11) -0.00611(12) 0.00367(11) 
Ag1 0.0347(4) 0.0348(3) 0.0382(3) -0.0144(3) -0.0141(3) 0.0024(2) 
S1 0.0312(11) 0.0349(9) 0.0429(11) -0.0167(8) -0.0126(9) 0.0023(8) 
P1 0.0225(10) 0.0315(9) 0.0261(9) -0.0139(7) -0.0072(8) 0.0020(7) 
F1 0.076(5) 0.058(4) 0.118(6) 0.025(4) -0.023(5) 0.004(4) 
F2 0.037(3) 0.050(3) 0.131(6) -0.034(4) 0.007(4) -0.010(3) 
F3 0.091(6) 0.070(4) 0.115(6) -0.066(4) -0.004(5) -0.015(4) 
O1 0.051(4) 0.067(4) 0.063(4) -0.015(4) -0.027(4) 0.021(3) 
O2 0.026(3) 0.053(3) 0.061(4) -0.019(3) -0.011(3) 0.005(3) 
O3 0.064(5) 0.074(5) 0.052(4) -0.034(4) -0.002(4) -0.025(4) 
C1 0.040(5) 0.027(3) 0.029(4) -0.013(3) -0.010(4) 0.004(3) 
C2 0.028(4) 0.038(4) 0.037(4) -0.017(3) -0.010(4) 0.010(3) 
C3 0.023(4) 0.031(4) 0.037(4) -0.017(3) -0.008(3) 0.008(3) 
C4 0.031(4) 0.037(4) 0.032(4) -0.020(3) -0.011(3) 0.011(3) 
C5 0.022(4) 0.037(4) 0.039(4) -0.025(3) -0.011(3) 0.009(3) 
C1* 0.051(6) 0.048(5) 0.039(5) -0.026(4) -0.020(4) 0.016(4) 
C2* 0.032(5) 0.042(4) 0.034(4) -0.008(3) 0.002(4) 0.005(3) 
C3* 0.031(5) 0.056(5) 0.058(6) -0.029(4) -0.019(4) 0.007(4) 
C4* 0.056(6) 0.041(4) 0.039(5) -0.013(4) -0.020(5) 0.017(4) 
C5* 0.047(5) 0.034(4) 0.048(5) -0.021(4) -0.012(4) 0.003(4) 
C10 0.040(6) 0.040(5) 0.081(7) -0.022(5) -0.006(5) 0.002(4) 
C11 0.023(4) 0.039(4) 0.035(4) -0.020(3) -0.004(3) 0.001(3) 
C12 0.034(5) 0.050(5) 0.046(5) -0.024(4) -0.007(4) -0.007(4) 
C13 0.039(6) 0.067(6) 0.068(7) -0.044(6) -0.008(5) -0.008(5) 
C14 0.039(6) 0.043(5) 0.077(7) -0.033(5) 0.008(5) -0.012(4) 
C15 0.048(6) 0.038(4) 0.058(6) -0.019(4) -0.001(5) -0.004(4) 
C16 0.033(5) 0.041(4) 0.037(4) -0.014(4) 0.002(4) -0.005(4) 
C21 0.027(4) 0.030(3) 0.029(4) -0.014(3) -0.007(3) 0.004(3) 
C22 0.039(5) 0.048(5) 0.026(4) -0.014(3) -0.007(4) 0.002(4) 
C23 0.064(7) 0.049(5) 0.025(4) -0.014(4) -0.012(4) 0.003(4) 
C24 0.067(7) 0.052(5) 0.046(5) -0.025(4) -0.031(5) 0.010(5) 
C25 0.041(5) 0.061(6) 0.060(6) -0.033(5) -0.027(5) 0.010(4) 
C26 0.030(4) 0.045(4) 0.042(4) -0.023(4) -0.015(4) 0.013(3) 
C31 0.028(4) 0.038(4) 0.023(3) -0.015(3) -0.007(3) 0.005(3) 
C32 0.027(4) 0.042(4) 0.037(4) -0.009(3) -0.010(4) 0.004(3) 
C33 0.031(5) 0.061(6) 0.048(5) -0.014(4) -0.015(4) 0.011(4) 
C34 0.046(6) 0.057(5) 0.047(5) -0.025(4) -0.017(5) 0.025(4) 
C35 0.051(6) 0.041(4) 0.047(5) -0.025(4) -0.018(5) 0.015(4) 
C36 0.027(4) 0.043(4) 0.036(4) -0.019(3) -0.007(4) 0.002(3) 

_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 C5 2.235(7) . ? 
Ir1 C1 2.237(8) . ? 
Ir1 C2 2.247(8) . ? 
Ir1 C4 2.249(7) . ? 
Ir1 C3 2.253(7) . ? 
Ir1 P1 2.263(2) . ? 
Ir1 Ag1 2.9107(11) . ? 
Ir1 Ag1 3.0303(9) 2_676 ? 
Ag1 O3 2.392(7) . ? 
Ag1 Ag1 2.6553(12) 2_676 ? 
Ag1 Ir1 3.0303(9) 2_676 ? 
S1 O1 1.416(7) . ? 
S1 O2 1.432(7) . ? 
S1 O3 1.450(7) . ? 
S1 C10 1.806(9) . ? 
P1 C21 1.820(7) . ? 
P1 C31 1.826(8) . ? 
P1 C11 1.834(8) . ? 
F1 C10 1.320(13) . ? 
F2 C10 1.330(12) . ? 
F3 C10 1.327(13) . ? 
C1 C5 1.410(11) . ? 
C1 C2 1.436(11) . ? 
C1 C1* 1.505(10) . ? 
C2 C3 1.445(11) . ? 
C2 C2* 1.507(11) . ? 
C3 C4 1.420(11) . ? 
C3 C3* 1.511(10) . ? 
C4 C5 1.446(10) . ? 
C4 C4* 1.514(11) . ? 
C5 C5* 1.507(11) . ? 
C11 C16 1.380(12) . ? 
C11 C12 1.405(11) . ? 
C12 C13 1.398(12) . ? 
C13 C14 1.363(15) . ? 
C14 C15 1.381(15) . ? 
C15 C16 1.381(12) . ? 
C21 C22 1.398(11) . ? 
C21 C26 1.411(11) . ? 
C22 C23 1.382(11) . ? 
C23 C24 1.386(14) . ? 
C24 C25 1.358(14) . ? 
C25 C26 1.399(11) . ? 
C31 C32 1.399(11) . ? 
C31 C36 1.406(10) . ? 
C32 C33 1.386(13) . ? 
C33 C34 1.382(14) . ? 
C34 C35 1.381(14) . ? 
C35 C36 1.376(12) . ? 

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 
C5 Ir1 C1 36.8(3) . . ? 
C5 Ir1 C2 62.2(3) . . ? 
C1 Ir1 C2 37.3(3) . . ? 
C5 Ir1 C4 37.6(3) . . ? 
C1 Ir1 C4 61.8(3) . . ? 
C2 Ir1 C4 61.8(3) . . ? 
C5 Ir1 C3 62.5(3) . . ? 
C1 Ir1 C3 62.3(3) . . ? 
C2 Ir1 C3 37.4(3) . . ? 
C4 Ir1 C3 36.8(3) . . ? 
C5 Ir1 P1 108.3(2) . . ? 
C1 Ir1 P1 142.3(2) . . ? 
C2 Ir1 P1 160.1(2) . . ? 
C4 Ir1 P1 99.6(2) . . ? 
C3 Ir1 P1 123.1(2) . . ? 
C5 Ir1 Ag1 138.4(2) . . ? 
C1 Ir1 Ag1 101.93(19) . . ? 
C2 Ir1 Ag1 80.5(2) . . ? 
C4 Ir1 Ag1 135.8(2) . . ? 
C3 Ir1 Ag1 99.06(19) . . ? 
P1 Ir1 Ag1 112.72(5) . . ? 
C5 Ir1 Ag1 107.83(19) . 2_676 ? 
C1 Ir1 Ag1 81.14(19) . 2_676 ? 
C2 Ir1 Ag1 92.08(19) . 2_676 ? 
C4 Ir1 Ag1 142.60(18) . 2_676 ? 
C3 Ir1 Ag1 128.9(2) . 2_676 ? 
P1 Ir1 Ag1 107.71(5) . 2_676 ? 
Ag1 Ir1 Ag1 53.05(2) . 2_676 ? 
O3 Ag1 Ag1 165.5(2) . 2_676 ? 
O3 Ag1 Ir1 109.8(2) . . ? 
Ag1 Ag1 Ir1 65.79(3) 2_676 . ? 
O3 Ag1 Ir1 121.52(19) . 2_676 ? 
Ag1 Ag1 Ir1 61.17(3) 2_676 2_676 ? 
Ir1 Ag1 Ir1 126.95(2) . 2_676 ? 
O1 S1 O2 115.7(4) . . ? 
O1 S1 O3 114.5(5) . . ? 
O2 S1 O3 114.9(4) . . ? 
O1 S1 C10 103.7(5) . . ? 
O2 S1 C10 104.0(4) . . ? 
O3 S1 C10 101.6(5) . . ? 
C21 P1 C31 97.8(3) . . ? 
C21 P1 C11 105.9(3) . . ? 
C31 P1 C11 105.7(4) . . ? 
C21 P1 Ir1 117.7(3) . . ? 
C31 P1 Ir1 117.6(2) . . ? 
C11 P1 Ir1 110.6(3) . . ? 
S1 O3 Ag1 111.8(4) . . ? 
C5 C1 C2 108.9(6) . . ? 
C5 C1 C1* 125.2(7) . . ? 
C2 C1 C1* 125.4(7) . . ? 
C5 C1 Ir1 71.5(4) . . ? 
C2 C1 Ir1 71.7(4) . . ? 
C1* C1 Ir1 129.5(6) . . ? 
C1 C2 C3 107.5(7) . . ? 
C1 C2 C2* 126.3(7) . . ? 
C3 C2 C2* 125.7(7) . . ? 
C1 C2 Ir1 71.0(5) . . ? 
C3 C2 Ir1 71.5(4) . . ? 
C2* C2 Ir1 129.5(6) . . ? 
C4 C3 C2 107.5(6) . . ? 
C4 C3 C3* 126.4(7) . . ? 
C2 C3 C3* 125.3(7) . . ? 
C4 C3 Ir1 71.4(4) . . ? 
C2 C3 Ir1 71.0(4) . . ? 
C3* C3 Ir1 130.8(5) . . ? 
C3 C4 C5 108.6(7) . . ? 
C3 C4 C4* 126.4(7) . . ? 
C5 C4 C4* 124.4(7) . . ? 
C3 C4 Ir1 71.8(4) . . ? 
C5 C4 Ir1 70.7(4) . . ? 
C4* C4 Ir1 130.6(6) . . ? 
C1 C5 C4 107.5(7) . . ? 
C1 C5 C5* 126.7(7) . . ? 
C4 C5 C5* 125.3(7) . . ? 
C1 C5 Ir1 71.7(4) . . ? 
C4 C5 Ir1 71.7(4) . . ? 
C5* C5 Ir1 128.4(6) . . ? 
F1 C10 F3 105.7(9) . . ? 
F1 C10 F2 107.2(10) . . ? 
F3 C10 F2 108.4(9) . . ? 
F1 C10 S1 112.3(7) . . ? 
F3 C10 S1 111.6(8) . . ? 
F2 C10 S1 111.3(7) . . ? 
C16 C11 C12 118.7(7) . . ? 
C16 C11 P1 123.0(6) . . ? 
C12 C11 P1 117.9(6) . . ? 
C13 C12 C11 119.2(9) . . ? 
C14 C13 C12 121.0(9) . . ? 
C13 C14 C15 120.0(8) . . ? 
C16 C15 C14 119.9(10) . . ? 
C11 C16 C15 121.3(9) . . ? 
C22 C21 C26 118.1(7) . . ? 
C22 C21 P1 121.5(6) . . ? 
C26 C21 P1 120.2(6) . . ? 
C23 C22 C21 121.9(8) . . ? 
C22 C23 C24 119.2(9) . . ? 
C25 C24 C23 120.2(8) . . ? 
C24 C25 C26 121.7(8) . . ? 
C25 C26 C21 118.8(8) . . ? 
C32 C31 C36 118.1(7) . . ? 
C32 C31 P1 124.2(6) . . ? 
C36 C31 P1 117.5(6) . . ? 
C33 C32 C31 119.6(8) . . ? 
C34 C33 C32 121.6(9) . . ? 
C35 C34 C33 119.1(8) . . ? 
C36 C35 C34 120.3(8) . . ? 
C35 C36 C31 121.2(8) . . ? 

_diffrn_measured_fraction_theta_max    0.996 
_diffrn_reflns_theta_full              25.02 
_diffrn_measured_fraction_theta_full   0.996 
_refine_diff_density_max    3.954 
_refine_diff_density_min   -1.626 
_refine_diff_density_rms    0.166