#------------------------------------------------------------------------------
#$Date: 2016-03-23 02:36:24 +0100 (Wed 23 de Mar de 2016) $
#$Revision: 179253 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/73/4317343.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4317343
loop_
_publ_author_name
'Md Hosnay Mobarok'
'Okemona Oke'
'Michael J. Ferguson'
'Robert McDonald'
'Martin Cowie'
_publ_section_title
;
 Multiple Silicon-Hydrogen Bond Activations at Adjacent Rhodium and
 Iridium Centers
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11556
_journal_page_last               11572
_journal_paper_doi               10.1021/ic1017196
_journal_volume                  49
_journal_year                    2010
_chemical_formula_moiety         'C77 H66 Ir O3 P4 Rh Si2, 1.5(C6 H6)'
_chemical_formula_sum            'C86 H75 Ir O3 P4 Rh Si2'
_chemical_formula_weight         1631.63
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                97.730(4)
_cell_angle_beta                 104.590(4)
_cell_angle_gamma                113.895(4)
_cell_formula_units_Z            2
_cell_length_a                   13.3971(6)
_cell_length_b                   15.8618(7)
_cell_length_c                   20.9238(12)
_cell_measurement_reflns_used    43
_cell_measurement_temperature    213(2)
_cell_measurement_theta_max      28.99
_cell_measurement_theta_min      27.17
_cell_volume                     3791.0(4)
_computing_cell_refinement       'Siemens XSCANS'
_computing_data_collection       'Siemens XSCANS'
_computing_data_reduction        'Siemens SHELXTL'
_computing_molecular_graphics    'Siemens SHELXTL'
_computing_publication_material  'Siemens SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'Siemens SHELXTL'
_diffrn_ambient_temperature      213(2)
_diffrn_measured_fraction_theta_full 0.961
_diffrn_measured_fraction_theta_max 0.961
_diffrn_measurement_method       '2θ/ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0761
_diffrn_reflns_av_sigmaI/netI    0.0451
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            10485
_diffrn_reflns_theta_full        57.50
_diffrn_reflns_theta_max         57.50
_diffrn_reflns_theta_min         2.26
_exptl_absorpt_coefficient_mu    6.587
_exptl_absorpt_correction_T_max  0.6208
_exptl_absorpt_correction_T_min  0.2198
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'Siemens XPREP'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.429
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1650
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.981
_refine_diff_density_min         -2.350
_refine_diff_density_rms         0.128
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     877
_refine_ls_number_reflns         9993
_refine_ls_number_restraints     10
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0638
_refine_ls_R_factor_gt           0.0531
_refine_ls_shift/su_max          0.041
_refine_ls_shift/su_mean         0.005
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0872P)²+12.4713P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1383
_refine_ls_wR_factor_ref         0.1462
_reflns_number_gt                8438
_reflns_number_total             9993
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ic1017196_si_002_6.cif
_cod_data_source_block           compound12
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        3791.0(3)
_cod_database_code               4317343
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
Ir Ir -0.00151(3) 0.31432(2) 0.304192(16) 0.03085(13) Uani 1 1 d D . .
H1 H 0.095(3) 0.287(4) 0.285(3) 0.050 Uiso 1 1 d D . .
Rh Rh -0.09490(4) 0.35346(4) 0.17952(3) 0.02669(16) Uani 1 1 d . . .
P1 P 0.17507(16) 0.45163(14) 0.33128(10) 0.0299(4) Uani 1 1 d . . .
P2 P 0.06659(17) 0.50586(14) 0.20612(10) 0.0323(5) Uani 1 1 d . . .
P3 P 0.02508(17) 0.22205(14) 0.37444(10) 0.0317(5) Uani 1 1 d . . .
P4 P -0.00895(18) 0.01622(15) 0.37999(11) 0.0392(5) Uani 1 1 d . . .
Si1 Si -0.18347(17) 0.21524(15) 0.22096(11) 0.0325(5) Uani 1 1 d . . .
Si2 Si -0.21047(19) 0.34487(17) 0.06841(11) 0.0377(5) Uani 1 1 d . . .
H2 H -0.1578 0.3952 0.0525 0.045 Uiso 1 1 calc R . .
O1 O -0.0946(6) 0.4198(5) 0.3859(3) 0.0564(17) Uani 1 1 d . . .
O2 O -0.2276(6) 0.4380(5) 0.2420(3) 0.0570(17) Uani 1 1 d . . .
O3 O -0.0095(6) 0.2439(5) 0.0962(3) 0.0575(17) Uani 1 1 d . . .
C1 C -0.0603(7) 0.3798(6) 0.3553(4) 0.042(2) Uani 1 1 d . . .
C2 C -0.1806(7) 0.4039(6) 0.2176(4) 0.042(2) Uani 1 1 d . . .
C3 C -0.0429(7) 0.2835(6) 0.1287(4) 0.041(2) Uani 1 1 d . . .
C4 C 0.1494(7) 0.5459(6) 0.2980(4) 0.0341(18) Uani 1 1 d . . .
H4A H 0.1073 0.5670 0.3231 0.041 Uiso 1 1 calc R . .
H4B H 0.2244 0.6011 0.3065 0.041 Uiso 1 1 calc R . .
C5 C -0.0523(7) 0.0931(5) 0.3321(4) 0.0365(19) Uani 1 1 d . . .
H5A H -0.0409 0.0832 0.2878 0.044 Uiso 1 1 calc R . .
H5B H -0.1354 0.0716 0.3229 0.044 Uiso 1 1 calc R . .
C11 C 0.2491(6) 0.5110(5) 0.4225(4) 0.0308(17) Uani 1 1 d . . .
C12 C 0.2195(7) 0.5750(6) 0.4557(4) 0.043(2) Uani 1 1 d . . .
H12 H 0.1692 0.5948 0.4296 0.052 Uiso 1 1 calc R . .
C13 C 0.2634(8) 0.6105(7) 0.5277(5) 0.054(2) Uani 1 1 d . . .
H13 H 0.2433 0.6541 0.5493 0.065 Uiso 1 1 calc R . .
C14 C 0.3365(8) 0.5804(7) 0.5660(5) 0.054(2) Uani 1 1 d . . .
H14 H 0.3653 0.6026 0.6140 0.064 Uiso 1 1 calc R . .
C15 C 0.3666(8) 0.5187(7) 0.5340(4) 0.048(2) Uani 1 1 d . . .
H15 H 0.4172 0.4993 0.5602 0.058 Uiso 1 1 calc R . .
C16 C 0.3235(7) 0.4836(6) 0.4629(4) 0.041(2) Uani 1 1 d . . .
H16 H 0.3453 0.4408 0.4420 0.049 Uiso 1 1 calc R . .
C21 C 0.2900(6) 0.4484(6) 0.3013(4) 0.0329(18) Uani 1 1 d . . .
C22 C 0.4038(7) 0.5194(6) 0.3312(4) 0.045(2) Uani 1 1 d . . .
H22 H 0.4226 0.5700 0.3685 0.054 Uiso 1 1 calc R . .
C23 C 0.4906(8) 0.5172(8) 0.3072(5) 0.057(3) Uani 1 1 d . . .
H23 H 0.5679 0.5640 0.3295 0.068 Uiso 1 1 calc R . .
C24 C 0.4626(8) 0.4456(8) 0.2500(5) 0.059(3) Uani 1 1 d . . .
H24 H 0.5205 0.4456 0.2323 0.070 Uiso 1 1 calc R . .
C25 C 0.3509(8) 0.3751(7) 0.2194(5) 0.055(2) Uani 1 1 d . . .
H25 H 0.3327 0.3256 0.1816 0.066 Uiso 1 1 calc R . .
C26 C 0.2633(7) 0.3762(6) 0.2442(4) 0.0386(19) Uani 1 1 d . . .
H26 H 0.1864 0.3283 0.2223 0.046 Uiso 1 1 calc R . .
C31 C 0.0307(7) 0.6036(5) 0.1923(4) 0.0353(19) Uani 1 1 d . . .
C32 C 0.0294(8) 0.6315(7) 0.1322(5) 0.050(2) Uani 1 1 d . . .
H32 H 0.0533 0.6037 0.1003 0.060 Uiso 1 1 calc R . .
C33 C -0.0064(9) 0.6999(7) 0.1182(6) 0.063(3) Uani 1 1 d . . .
H33 H -0.0068 0.7182 0.0773 0.075 Uiso 1 1 calc R . .
C34 C -0.0412(10) 0.7403(8) 0.1647(6) 0.069(3) Uani 1 1 d . . .
H34 H -0.0651 0.7869 0.1556 0.083 Uiso 1 1 calc R . .
C35 C -0.0414(10) 0.7137(7) 0.2234(6) 0.064(3) Uani 1 1 d . . .
H35 H -0.0652 0.7423 0.2549 0.077 Uiso 1 1 calc R . .
C36 C -0.0067(8) 0.6445(7) 0.2377(5) 0.052(2) Uani 1 1 d . . .
H36 H -0.0088 0.6256 0.2783 0.063 Uiso 1 1 calc R . .
C41 C 0.1742(7) 0.5249(6) 0.1634(4) 0.0381(19) Uani 1 1 d . . .
C42 C 0.1412(8) 0.4699(7) 0.0963(4) 0.045(2) Uani 1 1 d . . .
H42 H 0.0655 0.4200 0.0742 0.054 Uiso 1 1 calc R . .
C43 C 0.2230(8) 0.4905(7) 0.0629(5) 0.050(2) Uani 1 1 d . . .
H43 H 0.2013 0.4536 0.0181 0.060 Uiso 1 1 calc R . .
C44 C 0.3317(9) 0.5614(8) 0.0930(5) 0.060(3) Uani 1 1 d . . .
H44 H 0.3844 0.5744 0.0689 0.072 Uiso 1 1 calc R . .
C45 C 0.3660(8) 0.6151(8) 0.1589(5) 0.062(3) Uani 1 1 d . . .
H45 H 0.4425 0.6640 0.1803 0.074 Uiso 1 1 calc R . .
C46 C 0.2869(8) 0.5967(7) 0.1940(5) 0.050(2) Uani 1 1 d . . .
H46 H 0.3105 0.6336 0.2391 0.060 Uiso 1 1 calc R . .
C51 C -0.0205(7) 0.2339(6) 0.4487(4) 0.0346(19) Uani 1 1 d . . .
C52 C 0.0361(7) 0.3225(6) 0.4975(4) 0.042(2) Uani 1 1 d . . .
H52 H 0.0960 0.3741 0.4911 0.050 Uiso 1 1 calc R . .
C53 C 0.0059(9) 0.3355(7) 0.5546(5) 0.053(2) Uani 1 1 d . . .
H53 H 0.0467 0.3951 0.5876 0.064 Uiso 1 1 calc R . .
C54 C -0.0844(11) 0.2613(8) 0.5639(5) 0.066(3) Uani 1 1 d . . .
H54 H -0.1045 0.2698 0.6034 0.079 Uiso 1 1 calc R . .
C55 C -0.1441(9) 0.1757(8) 0.5153(6) 0.063(3) Uani 1 1 d . . .
H55 H -0.2080 0.1262 0.5203 0.076 Uiso 1 1 calc R . .
C56 C -0.1115(8) 0.1606(7) 0.4584(5) 0.048(2) Uani 1 1 d . . .
H56 H -0.1514 0.1002 0.4264 0.058 Uiso 1 1 calc R . .
C61 C 0.1737(7) 0.2404(6) 0.4127(4) 0.0370(19) Uani 1 1 d . . .
C62 C 0.2422(7) 0.2497(6) 0.3709(4) 0.039(2) Uani 1 1 d . . .
H62 H 0.2108 0.2448 0.3242 0.047 Uiso 1 1 calc R . .
C63 C 0.3549(7) 0.2658(6) 0.3976(5) 0.046(2) Uani 1 1 d . . .
H63 H 0.3997 0.2717 0.3688 0.056 Uiso 1 1 calc R . .
C64 C 0.4031(8) 0.2734(7) 0.4650(5) 0.051(2) Uani 1 1 d . . .
H64 H 0.4812 0.2867 0.4831 0.061 Uiso 1 1 calc R . .
C65 C 0.3356(8) 0.2613(7) 0.5062(5) 0.049(2) Uani 1 1 d . . .
H65 H 0.3673 0.2645 0.5525 0.059 Uiso 1 1 calc R . .
C66 C 0.2218(7) 0.2445(6) 0.4800(4) 0.040(2) Uani 1 1 d . . .
H66 H 0.1766 0.2359 0.5087 0.048 Uiso 1 1 calc R . .
C71 C -0.1294(7) -0.1032(6) 0.3325(4) 0.039(2) Uani 1 1 d . . .
C72 C -0.2061(7) -0.1270(6) 0.2663(4) 0.047(2) Uani 1 1 d . . .
H72 H -0.2004 -0.0789 0.2435 0.057 Uiso 1 1 calc R . .
C73 C -0.2896(8) -0.2194(7) 0.2339(5) 0.060(3) Uani 1 1 d . . .
H73 H -0.3410 -0.2339 0.1895 0.072 Uiso 1 1 calc R . .
C74 C -0.2985(9) -0.2911(7) 0.2661(5) 0.064(3) Uani 1 1 d . . .
H74 H -0.3546 -0.3546 0.2433 0.076 Uiso 1 1 calc R . .
C75 C -0.2243(9) -0.2690(7) 0.3320(5) 0.063(3) Uani 1 1 d . . .
H75 H -0.2311 -0.3174 0.3546 0.076 Uiso 1 1 calc R . .
C76 C -0.1404(7) -0.1761(6) 0.3647(5) 0.048(2) Uani 1 1 d . . .
H76 H -0.0899 -0.1618 0.4094 0.058 Uiso 1 1 calc R . .
C81 C 0.0995(7) 0.0078(6) 0.3445(5) 0.044(2) Uani 1 1 d . . .
C82 C 0.0870(9) -0.0080(8) 0.2756(6) 0.065(3) Uani 1 1 d . . .
H82 H 0.0195 -0.0130 0.2442 0.078 Uiso 1 1 calc R . .
C83 C 0.1698(11) -0.0168(8) 0.2511(7) 0.082(4) Uani 1 1 d . . .
H83 H 0.1588 -0.0276 0.2040 0.098 Uiso 1 1 calc R . .
C84 C 0.2693(12) -0.0095(9) 0.2972(9) 0.089(4) Uani 1 1 d . . .
H84 H 0.3267 -0.0152 0.2814 0.107 Uiso 1 1 calc R . .
C85 C 0.2841(10) 0.0057(9) 0.3640(8) 0.086(4) Uani 1 1 d . . .
H85 H 0.3515 0.0097 0.3947 0.103 Uiso 1 1 calc R . .
C86 C 0.2000(9) 0.0160(7) 0.3894(6) 0.063(3) Uani 1 1 d . . .
H86 H 0.2126 0.0283 0.4368 0.076 Uiso 1 1 calc R . .
C91 C -0.2233(7) 0.0902(5) 0.1719(4) 0.0368(19) Uani 1 1 d . . .
C92 C -0.1419(8) 0.0668(7) 0.1535(4) 0.046(2) Uani 1 1 d . . .
H92 H -0.0647 0.1144 0.1666 0.056 Uiso 1 1 calc R . .
C93 C -0.1721(9) -0.0245(7) 0.1164(5) 0.055(3) Uani 1 1 d . . .
H93 H -0.1162 -0.0382 0.1044 0.067 Uiso 1 1 calc R . .
C94 C -0.2869(10) -0.0960(7) 0.0971(5) 0.066(3) Uani 1 1 d . . .
H94 H -0.3085 -0.1582 0.0722 0.079 Uiso 1 1 calc R . .
C95 C -0.3675(9) -0.0744(7) 0.1147(5) 0.058(3) Uani 1 1 d . . .
H95 H -0.4446 -0.1223 0.1013 0.069 Uiso 1 1 calc R . .
C96 C -0.3379(8) 0.0153(6) 0.1513(5) 0.049(2) Uani 1 1 d . . .
H96 H -0.3948 0.0276 0.1632 0.059 Uiso 1 1 calc R . .
C101 C -0.3201(7) 0.2024(6) 0.2381(4) 0.043(2) Uani 1 1 d . . .
C102 C -0.3390(8) 0.1859(8) 0.2980(5) 0.062(3) Uani 1 1 d . . .
H102 H -0.2825 0.1800 0.3316 0.074 Uiso 1 1 calc R . .
C103 C -0.4395(10) 0.1778(9) 0.3100(7) 0.085(4) Uani 1 1 d . . .
H103 H -0.4485 0.1687 0.3521 0.102 Uiso 1 1 calc R . .
C104 C -0.5249(10) 0.1827(8) 0.2619(7) 0.080(4) Uani 1 1 d . . .
H104 H -0.5938 0.1748 0.2698 0.096 Uiso 1 1 calc R . .
C105 C -0.5092(8) 0.1992(7) 0.2019(7) 0.070(3) Uani 1 1 d . . .
H105 H -0.5663 0.2050 0.1687 0.084 Uiso 1 1 calc R . .
C106 C -0.4092(8) 0.2073(7) 0.1900(6) 0.056(3) Uani 1 1 d . . .
H106 H -0.4010 0.2165 0.1478 0.067 Uiso 1 1 calc R . .
C111 C -0.2688(7) 0.2299(7) 0.0006(4) 0.041(2) Uani 1 1 d . . .
C112 C -0.3199(9) 0.1387(7) 0.0101(5) 0.056(3) Uani 1 1 d . . .
H112 H -0.3287 0.1326 0.0527 0.067 Uiso 1 1 calc R . .
C113 C -0.3578(9) 0.0571(7) -0.0413(6) 0.066(3) Uani 1 1 d . . .
H113 H -0.3940 -0.0034 -0.0337 0.080 Uiso 1 1 calc R . .
C114 C -0.3432(9) 0.0634(9) -0.1033(6) 0.072(3) Uani 1 1 d . . .
H114 H -0.3679 0.0077 -0.1380 0.086 Uiso 1 1 calc R . .
C115 C -0.2922(10) 0.1513(10) -0.1139(6) 0.079(4) Uani 1 1 d . . .
H115 H -0.2806 0.1567 -0.1559 0.095 Uiso 1 1 calc R . .
C116 C -0.2576(9) 0.2324(8) -0.0632(5) 0.060(3) Uani 1 1 d . . .
H116 H -0.2249 0.2922 -0.0723 0.072 Uiso 1 1 calc R . .
C121 C -0.3339(7) 0.3736(6) 0.0673(4) 0.041(2) Uani 1 1 d . . .
C122 C -0.3140(10) 0.4671(8) 0.0899(5) 0.059(3) Uani 1 1 d . . .
H122 H -0.2375 0.5164 0.1046 0.071 Uiso 1 1 calc R . .
C123 C -0.4019(11) 0.4909(9) 0.0916(6) 0.072(3) Uani 1 1 d . . .
H123 H -0.3854 0.5552 0.1067 0.086 Uiso 1 1 calc R . .
C124 C -0.5135(12) 0.4194(11) 0.0710(6) 0.091(4) Uani 1 1 d . . .
H124 H -0.5735 0.4348 0.0732 0.110 Uiso 1 1 calc R . .
C125 C -0.5387(10) 0.3258(10) 0.0472(6) 0.079(4) Uani 1 1 d . . .
H125 H -0.6156 0.2772 0.0331 0.095 Uiso 1 1 calc R . .
C126 C -0.4496(8) 0.3034(8) 0.0441(5) 0.061(3) Uani 1 1 d . . .
H126 H -0.4675 0.2394 0.0260 0.073 Uiso 1 1 calc R . .
C131 C -0.6104(16) -0.1742(14) 0.3836(12) 0.198(14) Uani 1 1 d D . .
H131 H -0.6756 -0.2035 0.3968 0.237 Uiso 1 1 calc R . .
C132 C -0.6235(15) -0.1774(16) 0.3165(11) 0.180(10) Uani 1 1 d D . .
H132 H -0.6984 -0.2056 0.2837 0.216 Uiso 1 1 calc R . .
C133 C -0.5291(19) -0.1402(16) 0.2965(9) 0.185(10) Uani 1 1 d D . .
H133 H -0.5383 -0.1441 0.2500 0.222 Uiso 1 1 calc R . .
C134 C -0.4211(15) -0.0973(17) 0.3445(12) 0.196(12) Uani 1 1 d D . .
H134 H -0.3555 -0.0761 0.3308 0.235 Uiso 1 1 calc R . .
C135 C -0.4076(16) -0.085(2) 0.4124(11) 0.37(3) Uani 1 1 d D . .
H135 H -0.3338 -0.0467 0.4457 0.443 Uiso 1 1 calc R . .
C136 C -0.502(2) -0.1281(19) 0.4312(9) 0.229(18) Uani 1 1 d D . .
H136 H -0.4924 -0.1261 0.4776 0.275 Uiso 1 1 calc R . .
C141 C -0.0412(17) 0.0628(14) -0.0160(9) 0.111(5) Uani 1 1 d . . .
H141 H -0.0685 0.1067 -0.0276 0.133 Uiso 1 1 calc R . .
C142 C 0.0658(18) 0.0946(14) 0.0310(10) 0.125(6) Uani 1 1 d . . .
H142 H 0.1102 0.1603 0.0530 0.151 Uiso 1 1 calc R . .
C143 C 0.1101(15) 0.0343(14) 0.0469(8) 0.117(6) Uani 1 1 d . . .
H143 H 0.1855 0.0575 0.0781 0.140 Uiso 1 1 calc R . .
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'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh 0.0927 3.6045 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ir Ir -4.7710 6.5667 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
C1 Ir P3 98.6(2) . . ?
C1 Ir Si1 93.5(3) . . ?
P3 Ir Si1 104.38(7) . . ?
C1 Ir P1 92.8(3) . . ?
P3 Ir P1 108.28(7) . . ?
Si1 Ir P1 145.39(7) . . ?
C1 Ir Rh 93.6(2) . . ?
P3 Ir Rh 156.46(5) . . ?
Si1 Ir Rh 54.55(5) . . ?
P1 Ir Rh 91.09(5) . . ?
C3 Rh C2 167.3(4) . . ?
C3 Rh P2 97.3(3) . . ?
C2 Rh P2 93.5(3) . . ?
C3 Rh Si2 83.5(2) . . ?
C2 Rh Si2 88.0(2) . . ?
P2 Rh Si2 101.02(7) . . ?
C3 Rh Si1 88.5(2) . . ?
C2 Rh Si1 86.4(2) . . ?
P2 Rh Si1 145.16(7) . . ?
Si2 Rh Si1 113.78(8) . . ?
C3 Rh Ir 93.2(2) . . ?
C2 Rh Ir 92.8(2) . . ?
P2 Rh Ir 93.57(5) . . ?
Si2 Rh Ir 165.33(6) . . ?
Si1 Rh Ir 51.71(5) . . ?
C21 P1 C11 103.5(3) . . ?
C21 P1 C4 103.3(3) . . ?
C11 P1 C4 101.8(4) . . ?
C21 P1 Ir 121.3(3) . . ?
C11 P1 Ir 114.9(2) . . ?
C4 P1 Ir 109.9(3) . . ?
C41 P2 C4 105.3(4) . . ?
C41 P2 C31 100.6(4) . . ?
C4 P2 C31 102.7(4) . . ?
C41 P2 Rh 120.9(3) . . ?
C4 P2 Rh 110.0(3) . . ?
C31 P2 Rh 115.3(3) . . ?
C51 P3 C61 102.7(4) . . ?
C51 P3 C5 104.5(4) . . ?
C61 P3 C5 101.8(4) . . ?
C51 P3 Ir 115.1(2) . . ?
C61 P3 Ir 117.0(3) . . ?
C5 P3 Ir 114.0(3) . . ?
C81 P4 C71 98.0(4) . . ?
C81 P4 C5 101.0(4) . . ?
C71 P4 C5 101.3(4) . . ?
C101 Si1 C91 103.9(4) . . ?
C101 Si1 Ir 120.4(3) . . ?
C91 Si1 Ir 122.2(3) . . ?
C101 Si1 Rh 113.7(3) . . ?
C91 Si1 Rh 121.5(3) . . ?
Ir Si1 Rh 73.73(6) . . ?
C121 Si2 C111 108.1(4) . . ?
C121 Si2 Rh 115.0(3) . . ?
C111 Si2 Rh 115.8(3) . . ?
O1 C1 Ir 179.3(8) . . ?
O2 C2 Rh 176.9(8) . . ?
O3 C3 Rh 176.9(7) . . ?
P2 C4 P1 112.9(4) . . ?
P3 C5 P4 116.1(4) . . ?
C16 C11 C12 117.5(7) . . ?
C16 C11 P1 121.1(6) . . ?
C12 C11 P1 120.7(6) . . ?
C11 C12 C13 121.3(8) . . ?
C14 C13 C12 119.1(9) . . ?
C15 C14 C13 119.9(9) . . ?
C14 C15 C16 121.1(9) . . ?
C11 C16 C15 121.0(8) . . ?
C22 C21 C26 118.3(7) . . ?
C22 C21 P1 121.7(6) . . ?
C26 C21 P1 119.9(6) . . ?
C21 C22 C23 121.2(9) . . ?
C24 C23 C22 119.8(9) . . ?
C25 C24 C23 120.0(9) . . ?
C24 C25 C26 120.4(9) . . ?
C21 C26 C25 120.2(8) . . ?
C36 C31 C32 118.3(8) . . ?
C36 C31 P2 121.2(6) . . ?
C32 C31 P2 120.2(6) . . ?
C31 C32 C33 121.2(9) . . ?
C34 C33 C32 119.3(10) . . ?
C35 C34 C33 120.6(10) . . ?
C34 C35 C36 120.8(10) . . ?
C31 C36 C35 119.9(9) . . ?
C46 C41 C42 118.5(8) . . ?
C46 C41 P2 121.4(7) . . ?
C42 C41 P2 120.0(6) . . ?
C43 C42 C41 118.8(9) . . ?
C44 C43 C42 121.9(9) . . ?
C43 C44 C45 120.1(9) . . ?
C44 C45 C46 119.7(10) . . ?
C41 C46 C45 120.9(9) . . ?
C56 C51 C52 117.9(8) . . ?
C56 C51 P3 123.5(7) . . ?
C52 C51 P3 118.6(6) . . ?
C53 C52 C51 121.1(8) . . ?
C52 C53 C54 120.3(9) . . ?
C55 C54 C53 119.4(9) . . ?
C54 C55 C56 120.8(9) . . ?
C51 C56 C55 120.4(9) . . ?
C66 C61 C62 117.9(8) . . ?
C66 C61 P3 123.8(6) . . ?
C62 C61 P3 118.2(6) . . ?
C63 C62 C61 120.4(8) . . ?
C64 C63 C62 121.2(8) . . ?
C63 C64 C65 118.9(8) . . ?
C64 C65 C66 120.6(8) . . ?
C61 C66 C65 120.9(8) . . ?
C76 C71 C72 117.9(8) . . ?
C76 C71 P4 116.5(6) . . ?
C72 C71 P4 125.6(7) . . ?
C73 C72 C71 121.1(9) . . ?
C72 C73 C74 120.4(9) . . ?
C73 C74 C75 119.5(9) . . ?
C76 C75 C74 120.2(9) . . ?
C75 C76 C71 120.9(9) . . ?
C86 C81 C82 117.5(9) . . ?
C86 C81 P4 117.7(8) . . ?
C82 C81 P4 124.8(7) . . ?
C83 C82 C81 122.6(11) . . ?
C82 C83 C84 118.8(13) . . ?
C85 C84 C83 120.2(12) . . ?
C84 C85 C86 121.2(12) . . ?
C81 C86 C85 119.7(11) . . ?
C92 C91 C96 116.4(8) . . ?
C92 C91 Si1 122.2(6) . . ?
C96 C91 Si1 121.4(7) . . ?
C93 C92 C91 122.0(9) . . ?
C92 C93 C94 119.3(9) . . ?
C95 C94 C93 119.5(9) . . ?
C96 C95 C94 121.3(9) . . ?
C95 C96 C91 121.5(9) . . ?
C102 C101 C106 115.8(8) . . ?
C102 C101 Si1 122.6(7) . . ?
C106 C101 Si1 121.7(7) . . ?
C101 C102 C103 121.7(11) . . ?
C104 C103 C102 121.0(12) . . ?
C103 C104 C105 119.0(11) . . ?
C104 C105 C106 119.9(11) . . ?
C105 C106 C101 122.5(11) . . ?
C116 C111 C112 115.3(9) . . ?
C116 C111 Si2 119.9(8) . . ?
C112 C111 Si2 124.7(7) . . ?
C113 C112 C111 121.8(10) . . ?
C114 C113 C112 120.7(11) . . ?
C115 C114 C113 119.0(10) . . ?
C114 C115 C116 120.2(11) . . ?
C115 C116 C111 123.1(11) . . ?
C122 C121 C126 116.3(9) . . ?
C122 C121 Si2 121.0(7) . . ?
C126 C121 Si2 122.7(7) . . ?
C123 C122 C121 122.8(11) . . ?
C124 C123 C122 119.0(11) . . ?
C125 C124 C123 120.9(11) . . ?
C124 C125 C126 119.3(12) . . ?
C125 C126 C121 121.6(10) . . ?
C136 C131 C132 119.3(17) . . ?
C131 C132 C133 120.5(18) . . ?
C134 C133 C132 119.4(17) . . ?
C133 C134 C135 120.4(17) . . ?
C134 C135 C136 119.1(17) . . ?
C131 C136 C135 120.6(17) . . ?
C142 C141 C143 120.0(17) . 2 ?
C143 C142 C141 121.8(18) . . ?
C142 C143 C141 118.2(17) . 2 ?
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
Ir C1 1.905(10) . ?
Ir P3 2.273(2) . ?
Ir Si1 2.338(2) . ?
Ir P1 2.3408(19) . ?
Ir Rh 2.8594(6) . ?
Rh C3 1.878(10) . ?
Rh C2 1.904(10) . ?
Rh P2 2.372(2) . ?
Rh Si2 2.398(2) . ?
Rh Si1 2.427(2) . ?
P1 C21 1.819(8) . ?
P1 C11 1.821(7) . ?
P1 C4 1.848(8) . ?
P2 C41 1.827(8) . ?
P2 C4 1.832(8) . ?
P2 C31 1.837(8) . ?
P3 C51 1.821(8) . ?
P3 C61 1.832(8) . ?
P3 C5 1.837(8) . ?
P4 C81 1.832(9) . ?
P4 C71 1.841(9) . ?
P4 C5 1.854(8) . ?
Si1 C101 1.889(8) . ?
Si1 C91 1.894(8) . ?
Si2 C121 1.881(8) . ?
Si2 C111 1.882(9) . ?
O1 C1 1.141(11) . ?
O2 C2 1.146(10) . ?
O3 C3 1.152(10) . ?
C11 C16 1.385(11) . ?
C11 C12 1.396(11) . ?
C12 C13 1.410(12) . ?
C13 C14 1.384(13) . ?
C14 C15 1.360(13) . ?
C15 C16 1.393(12) . ?
C21 C22 1.386(11) . ?
C21 C26 1.398(11) . ?
C22 C23 1.389(12) . ?
C23 C24 1.387(14) . ?
C24 C25 1.368(13) . ?
C25 C26 1.403(12) . ?
C31 C36 1.384(12) . ?
C31 C32 1.386(12) . ?
C32 C33 1.389(13) . ?
C33 C34 1.369(15) . ?
C34 C35 1.351(15) . ?
C35 C36 1.395(13) . ?
C41 C46 1.382(12) . ?
C41 C42 1.405(12) . ?
C42 C43 1.398(12) . ?
C43 C44 1.343(14) . ?
C44 C45 1.374(14) . ?
C45 C46 1.395(12) . ?
C51 C56 1.386(11) . ?
C51 C52 1.397(12) . ?
C52 C53 1.370(12) . ?
C53 C54 1.384(14) . ?
C54 C55 1.362(15) . ?
C55 C56 1.391(13) . ?
C61 C66 1.373(11) . ?
C61 C62 1.400(11) . ?
C62 C63 1.371(12) . ?
C63 C64 1.361(13) . ?
C64 C65 1.376(13) . ?
C65 C66 1.381(12) . ?
C71 C76 1.392(12) . ?
C71 C72 1.394(12) . ?
C72 C73 1.372(13) . ?
C73 C74 1.377(14) . ?
C74 C75 1.382(14) . ?
C75 C76 1.380(13) . ?
C81 C86 1.379(13) . ?
C81 C82 1.385(14) . ?
C82 C83 1.379(14) . ?
C83 C84 1.385(18) . ?
C84 C85 1.336(18) . ?
C85 C86 1.416(16) . ?
C91 C92 1.407(12) . ?
C91 C96 1.416(12) . ?
C92 C93 1.388(13) . ?
C93 C94 1.402(15) . ?
C94 C95 1.373(14) . ?
C95 C96 1.365(13) . ?
C101 C102 1.377(13) . ?
C101 C106 1.391(12) . ?
C102 C103 1.389(15) . ?
C103 C104 1.356(18) . ?
C104 C105 1.367(17) . ?
C105 C106 1.381(13) . ?
C111 C116 1.382(12) . ?
C111 C112 1.395(13) . ?
C112 C113 1.381(14) . ?
C113 C114 1.371(16) . ?
C114 C115 1.359(17) . ?
C115 C116 1.378(14) . ?
C121 C122 1.386(13) . ?
C121 C126 1.398(13) . ?
C122 C123 1.381(14) . ?
C123 C124 1.370(18) . ?
C124 C125 1.369(17) . ?
C125 C126 1.391(14) . ?
C131 C136 1.3605(11) . ?
C131 C132 1.3609(10) . ?
C132 C133 1.3609(10) . ?
C133 C134 1.3605(11) . ?
C134 C135 1.3607(10) . ?
C135 C136 1.3607(10) . ?
C141 C142 1.36(2) . ?
C141 C143 1.39(2) 2 ?
C142 C143 1.35(2) . ?
C143 C141 1.39(2) 2 ?
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
C1 Ir Rh C3 -177.3(3) . . . . ?
P3 Ir Rh C3 -56.2(3) . . . . ?
Si1 Ir Rh C3 -85.6(3) . . . . ?
P1 Ir Rh C3 89.9(3) . . . . ?
C1 Ir Rh C2 -8.5(3) . . . . ?
P3 Ir Rh C2 112.6(3) . . . . ?
Si1 Ir Rh C2 83.2(3) . . . . ?
P1 Ir Rh C2 -101.3(3) . . . . ?
C1 Ir Rh P2 85.1(2) . . . . ?
P3 Ir Rh P2 -153.72(14) . . . . ?
Si1 Ir Rh P2 176.84(8) . . . . ?
P1 Ir Rh P2 -7.68(7) . . . . ?
C1 Ir Rh Si2 -101.2(3) . . . . ?
P3 Ir Rh Si2 20.0(3) . . . . ?
Si1 Ir Rh Si2 -9.5(2) . . . . ?
P1 Ir Rh Si2 166.0(2) . . . . ?
C1 Ir Rh Si1 -91.7(3) . . . . ?
P3 Ir Rh Si1 29.44(15) . . . . ?
P1 Ir Rh Si1 175.47(8) . . . . ?
C1 Ir P1 C21 178.5(4) . . . . ?
P3 Ir P1 C21 78.5(3) . . . . ?
Si1 Ir P1 C21 -81.4(3) . . . . ?
Rh Ir P1 C21 -87.9(3) . . . . ?
C1 Ir P1 C11 52.9(4) . . . . ?
P3 Ir P1 C11 -47.1(3) . . . . ?
Si1 Ir P1 C11 153.0(3) . . . . ?
Rh Ir P1 C11 146.5(3) . . . . ?
C1 Ir P1 C4 -61.2(4) . . . . ?
P3 Ir P1 C4 -161.1(3) . . . . ?
Si1 Ir P1 C4 39.0(3) . . . . ?
Rh Ir P1 C4 32.5(3) . . . . ?
C3 Rh P2 C41 11.7(4) . . . . ?
C2 Rh P2 C41 -161.6(4) . . . . ?
Si2 Rh P2 C41 -73.0(3) . . . . ?
Si1 Rh P2 C41 109.7(3) . . . . ?
Ir Rh P2 C41 105.4(3) . . . . ?
C3 Rh P2 C4 -111.4(4) . . . . ?
C2 Rh P2 C4 75.3(4) . . . . ?
Si2 Rh P2 C4 163.9(3) . . . . ?
Si1 Rh P2 C4 -13.4(3) . . . . ?
Ir Rh P2 C4 -17.7(3) . . . . ?
C3 Rh P2 C31 133.1(4) . . . . ?
C2 Rh P2 C31 -40.3(4) . . . . ?
Si2 Rh P2 C31 48.3(3) . . . . ?
Si1 Rh P2 C31 -128.9(3) . . . . ?
Ir Rh P2 C31 -133.3(3) . . . . ?
C1 Ir P3 C51 2.6(4) . . . . ?
Si1 Ir P3 C51 -93.2(3) . . . . ?
P1 Ir P3 C51 98.4(3) . . . . ?
Rh Ir P3 C51 -117.6(3) . . . . ?
C1 Ir P3 C61 -118.2(4) . . . . ?
Si1 Ir P3 C61 146.0(3) . . . . ?
P1 Ir P3 C61 -22.4(3) . . . . ?
Rh Ir P3 C61 121.6(3) . . . . ?
C1 Ir P3 C5 123.3(4) . . . . ?
Si1 Ir P3 C5 27.5(3) . . . . ?
P1 Ir P3 C5 -140.9(3) . . . . ?
Rh Ir P3 C5 3.1(4) . . . . ?
C1 Ir Si1 C101 -16.4(4) . . . . ?
P3 Ir Si1 C101 83.4(3) . . . . ?
P1 Ir Si1 C101 -116.3(3) . . . . ?
Rh Ir Si1 C101 -108.3(3) . . . . ?
C1 Ir Si1 C91 -150.7(4) . . . . ?
P3 Ir Si1 C91 -51.0(3) . . . . ?
P1 Ir Si1 C91 109.4(3) . . . . ?
Rh Ir Si1 C91 117.4(3) . . . . ?
C1 Ir Si1 Rh 91.9(2) . . . . ?
P3 Ir Si1 Rh -168.31(6) . . . . ?
P1 Ir Si1 Rh -7.98(14) . . . . ?
C3 Rh Si1 C101 -148.2(4) . . . . ?
C2 Rh Si1 C101 20.2(4) . . . . ?
P2 Rh Si1 C101 111.1(3) . . . . ?
Si2 Rh Si1 C101 -66.0(3) . . . . ?
Ir Rh Si1 C101 116.6(3) . . . . ?
C3 Rh Si1 C91 -23.0(4) . . . . ?
C2 Rh Si1 C91 145.4(4) . . . . ?
P2 Rh Si1 C91 -123.7(3) . . . . ?
Si2 Rh Si1 C91 59.2(3) . . . . ?
Ir Rh Si1 C91 -118.2(3) . . . . ?
C3 Rh Si1 Ir 95.2(3) . . . . ?
C2 Rh Si1 Ir -96.4(3) . . . . ?
P2 Rh Si1 Ir -5.52(14) . . . . ?
Si2 Rh Si1 Ir 177.39(7) . . . . ?
C3 Rh Si2 C121 163.8(4) . . . . ?
C2 Rh Si2 C121 -6.9(4) . . . . ?
P2 Rh Si2 C121 -100.0(3) . . . . ?
Si1 Rh Si2 C121 78.3(3) . . . . ?
Ir Rh Si2 C121 86.4(4) . . . . ?
C3 Rh Si2 C111 36.4(4) . . . . ?
C2 Rh Si2 C111 -134.2(4) . . . . ?
P2 Rh Si2 C111 132.6(3) . . . . ?
Si1 Rh Si2 C111 -49.1(3) . . . . ?
Ir Rh Si2 C111 -41.0(4) . . . . ?
P3 Ir C1 O1 120(64) . . . . ?
Si1 Ir C1 O1 -135(64) . . . . ?
P1 Ir C1 O1 11(64) . . . . ?
Rh Ir C1 O1 -81(64) . . . . ?
C3 Rh C2 O2 -166(13) . . . . ?
P2 Rh C2 O2 -17(13) . . . . ?
Si2 Rh C2 O2 -118(13) . . . . ?
Si1 Rh C2 O2 128(13) . . . . ?
Ir Rh C2 O2 77(13) . . . . ?
C2 Rh C3 O3 105(14) . . . . ?
P2 Rh C3 O3 -43(14) . . . . ?
Si2 Rh C3 O3 57(14) . . . . ?
Si1 Rh C3 O3 171(14) . . . . ?
Ir Rh C3 O3 -137(14) . . . . ?
C41 P2 C4 P1 -85.9(5) . . . . ?
C31 P2 C4 P1 169.2(4) . . . . ?
Rh P2 C4 P1 46.0(4) . . . . ?
C21 P1 C4 P2 76.4(5) . . . . ?
C11 P1 C4 P2 -176.5(4) . . . . ?
Ir P1 C4 P2 -54.3(4) . . . . ?
C51 P3 C5 P4 -66.9(5) . . . . ?
C61 P3 C5 P4 39.7(5) . . . . ?
Ir P3 C5 P4 166.7(3) . . . . ?
C81 P4 C5 P3 -93.9(5) . . . . ?
C71 P4 C5 P3 165.5(5) . . . . ?
C21 P1 C11 C16 -47.4(7) . . . . ?
C4 P1 C11 C16 -154.3(6) . . . . ?
Ir P1 C11 C16 86.9(6) . . . . ?
C21 P1 C11 C12 142.3(7) . . . . ?
C4 P1 C11 C12 35.4(7) . . . . ?
Ir P1 C11 C12 -83.3(7) . . . . ?
C16 C11 C12 C13 -0.1(12) . . . . ?
P1 C11 C12 C13 170.5(7) . . . . ?
C11 C12 C13 C14 -0.6(13) . . . . ?
C12 C13 C14 C15 1.2(14) . . . . ?
C13 C14 C15 C16 -1.0(14) . . . . ?
C12 C11 C16 C15 0.2(12) . . . . ?
P1 C11 C16 C15 -170.3(6) . . . . ?
C14 C15 C16 C11 0.3(13) . . . . ?
C11 P1 C21 C22 -31.3(8) . . . . ?
C4 P1 C21 C22 74.5(7) . . . . ?
Ir P1 C21 C22 -162.0(6) . . . . ?
C11 P1 C21 C26 152.6(6) . . . . ?
C4 P1 C21 C26 -101.6(7) . . . . ?
Ir P1 C21 C26 22.0(7) . . . . ?
C26 C21 C22 C23 -2.7(12) . . . . ?
P1 C21 C22 C23 -178.8(7) . . . . ?
C21 C22 C23 C24 3.4(14) . . . . ?
C22 C23 C24 C25 -3.0(15) . . . . ?
C23 C24 C25 C26 2.0(15) . . . . ?
C22 C21 C26 C25 1.7(12) . . . . ?
P1 C21 C26 C25 177.9(7) . . . . ?
C24 C25 C26 C21 -1.4(14) . . . . ?
C41 P2 C31 C36 -151.8(7) . . . . ?
C4 P2 C31 C36 -43.3(8) . . . . ?
Rh P2 C31 C36 76.4(7) . . . . ?
C41 P2 C31 C32 34.7(8) . . . . ?
C4 P2 C31 C32 143.2(7) . . . . ?
Rh P2 C31 C32 -97.1(7) . . . . ?
C36 C31 C32 C33 1.1(14) . . . . ?
P2 C31 C32 C33 174.8(8) . . . . ?
C31 C32 C33 C34 0.0(16) . . . . ?
C32 C33 C34 C35 -0.4(17) . . . . ?
C33 C34 C35 C36 -0.3(18) . . . . ?
C32 C31 C36 C35 -1.7(14) . . . . ?
P2 C31 C36 C35 -175.3(8) . . . . ?
C34 C35 C36 C31 1.3(17) . . . . ?
C4 P2 C41 C46 -29.2(8) . . . . ?
C31 P2 C41 C46 77.3(8) . . . . ?
Rh P2 C41 C46 -154.5(6) . . . . ?
C4 P2 C41 C42 154.8(7) . . . . ?
C31 P2 C41 C42 -98.7(7) . . . . ?
Rh P2 C41 C42 29.5(8) . . . . ?
C46 C41 C42 C43 -0.7(12) . . . . ?
P2 C41 C42 C43 175.4(6) . . . . ?
C41 C42 C43 C44 -0.3(14) . . . . ?
C42 C43 C44 C45 1.2(15) . . . . ?
C43 C44 C45 C46 -1.2(15) . . . . ?
C42 C41 C46 C45 0.8(13) . . . . ?
P2 C41 C46 C45 -175.3(7) . . . . ?
C44 C45 C46 C41 0.1(15) . . . . ?
C61 P3 C51 C56 -117.4(7) . . . . ?
C5 P3 C51 C56 -11.4(8) . . . . ?
Ir P3 C51 C56 114.3(7) . . . . ?
C61 P3 C51 C52 65.0(7) . . . . ?
C5 P3 C51 C52 170.9(6) . . . . ?
Ir P3 C51 C52 -63.4(7) . . . . ?
C56 C51 C52 C53 2.5(12) . . . . ?
P3 C51 C52 C53 -179.6(7) . . . . ?
C51 C52 C53 C54 -2.0(14) . . . . ?
C52 C53 C54 C55 -0.9(15) . . . . ?
C53 C54 C55 C56 3.3(16) . . . . ?
C52 C51 C56 C55 -0.2(13) . . . . ?
P3 C51 C56 C55 -177.9(7) . . . . ?
C54 C55 C56 C51 -2.7(15) . . . . ?
C51 P3 C61 C66 9.7(8) . . . . ?
C5 P3 C61 C66 -98.3(8) . . . . ?
Ir P3 C61 C66 136.8(7) . . . . ?
C51 P3 C61 C62 -171.0(6) . . . . ?
C5 P3 C61 C62 81.0(7) . . . . ?
Ir P3 C61 C62 -43.9(7) . . . . ?
C66 C61 C62 C63 -2.2(12) . . . . ?
P3 C61 C62 C63 178.4(7) . . . . ?
C61 C62 C63 C64 -0.2(13) . . . . ?
C62 C63 C64 C65 2.3(14) . . . . ?
C63 C64 C65 C66 -1.9(14) . . . . ?
C62 C61 C66 C65 2.6(13) . . . . ?
P3 C61 C66 C65 -178.1(7) . . . . ?
C64 C65 C66 C61 -0.6(14) . . . . ?
C81 P4 C71 C76 92.7(7) . . . . ?
C5 P4 C71 C76 -164.3(7) . . . . ?
C81 P4 C71 C72 -84.0(8) . . . . ?
C5 P4 C71 C72 19.0(8) . . . . ?
C76 C71 C72 C73 -0.1(14) . . . . ?
P4 C71 C72 C73 176.6(8) . . . . ?
C71 C72 C73 C74 -0.8(16) . . . . ?
C72 C73 C74 C75 1.5(17) . . . . ?
C73 C74 C75 C76 -1.4(17) . . . . ?
C74 C75 C76 C71 0.5(16) . . . . ?
C72 C71 C76 C75 0.2(14) . . . . ?
P4 C71 C76 C75 -176.8(8) . . . . ?
C71 P4 C81 C86 -119.5(7) . . . . ?
C5 P4 C81 C86 137.3(7) . . . . ?
C71 P4 C81 C82 59.2(9) . . . . ?
C5 P4 C81 C82 -44.0(9) . . . . ?
C86 C81 C82 C83 0.8(15) . . . . ?
P4 C81 C82 C83 -177.9(8) . . . . ?
C81 C82 C83 C84 -0.1(18) . . . . ?
C82 C83 C84 C85 0.1(19) . . . . ?
C83 C84 C85 C86 -1(2) . . . . ?
C82 C81 C86 C85 -1.6(14) . . . . ?
P4 C81 C86 C85 177.2(8) . . . . ?
C84 C85 C86 C81 1.7(18) . . . . ?
C101 Si1 C91 C92 -175.1(7) . . . . ?
Ir Si1 C91 C92 -34.5(8) . . . . ?
Rh Si1 C91 C92 55.4(7) . . . . ?
C101 Si1 C91 C96 5.4(8) . . . . ?
Ir Si1 C91 C96 146.0(6) . . . . ?
Rh Si1 C91 C96 -124.1(6) . . . . ?
C96 C91 C92 C93 0.7(12) . . . . ?
Si1 C91 C92 C93 -178.8(7) . . . . ?
C91 C92 C93 C94 -0.5(14) . . . . ?
C92 C93 C94 C95 0.4(15) . . . . ?
C93 C94 C95 C96 -0.6(15) . . . . ?
C94 C95 C96 C91 0.9(15) . . . . ?
C92 C91 C96 C95 -0.9(13) . . . . ?
Si1 C91 C96 C95 178.6(7) . . . . ?
C91 Si1 C101 C102 94.1(8) . . . . ?
Ir Si1 C101 C102 -47.3(9) . . . . ?
Rh Si1 C101 C102 -131.7(8) . . . . ?
C91 Si1 C101 C106 -84.6(8) . . . . ?
Ir Si1 C101 C106 133.9(7) . . . . ?
Rh Si1 C101 C106 49.5(8) . . . . ?
C106 C101 C102 C103 -1.9(15) . . . . ?
Si1 C101 C102 C103 179.2(9) . . . . ?
C101 C102 C103 C104 2.2(18) . . . . ?
C102 C103 C104 C105 -2.3(19) . . . . ?
C103 C104 C105 C106 2.2(18) . . . . ?
C104 C105 C106 C101 -2.1(16) . . . . ?
C102 C101 C106 C105 1.9(15) . . . . ?
Si1 C101 C106 C105 -179.2(8) . . . . ?
C121 Si2 C111 C116 97.3(8) . . . . ?
Rh Si2 C111 C116 -132.0(7) . . . . ?
C121 Si2 C111 C112 -85.8(8) . . . . ?
Rh Si2 C111 C112 44.9(8) . . . . ?
C116 C111 C112 C113 -0.9(13) . . . . ?
Si2 C111 C112 C113 -178.0(7) . . . . ?
C111 C112 C113 C114 2.0(16) . . . . ?
C112 C113 C114 C115 -1.0(17) . . . . ?
C113 C114 C115 C116 -0.9(18) . . . . ?
C114 C115 C116 C111 2.0(18) . . . . ?
C112 C111 C116 C115 -1.1(14) . . . . ?
Si2 C111 C116 C115 176.2(8) . . . . ?
C111 Si2 C121 C122 -154.1(7) . . . . ?
Rh Si2 C121 C122 74.8(7) . . . . ?
C111 Si2 C121 C126 25.8(9) . . . . ?
Rh Si2 C121 C126 -105.3(7) . . . . ?
C126 C121 C122 C123 1.8(14) . . . . ?
Si2 C121 C122 C123 -178.3(8) . . . . ?
C121 C122 C123 C124 0.8(16) . . . . ?
C122 C123 C124 C125 -1.8(19) . . . . ?
C123 C124 C125 C126 0(2) . . . . ?
C124 C125 C126 C121 2.6(17) . . . . ?
C122 C121 C126 C125 -3.5(14) . . . . ?
Si2 C121 C126 C125 176.6(8) . . . . ?
C136 C131 C132 C133 4(4) . . . . ?
C131 C132 C133 C134 -2(4) . . . . ?
C132 C133 C134 C135 -5(4) . . . . ?
C133 C134 C135 C136 10(3) . . . . ?
C132 C131 C136 C135 1(4) . . . . ?
C134 C135 C136 C131 -7(4) . . . . ?
C143 C141 C142 C143 3(3) 2 . . . ?
C141 C142 C143 C141 -3(3) . . . 2 ?
