# Supplementary Material (ESI) for Chemical Communications # This journal is © The Royal Society of Chemistry 2003 data_global _publ_contact_author_email MSHI@PUB.SIOC.AC.CN _publ_contact_author_name 'Dr Min Shi' _journal_name_full Chem.Commun. _journal_coden_Cambridge 0182 _publ_contact_author_address ; State Key Laboratory of Organometallic Chemistry Shanghai Institute of Organic Chemistry 354 Fenglin Lu Shanghai 200032 CHINA ; _publ_section_title ; Synthesis of Novel Axially Chiral Rh-NHC Complexes Derived from BINAM and Application in the Enantioselective Hydrosilylation of Ketones. ; loop_ _publ_author_name 'Min Shi' 'Wei-Liang Duan' 'Guo-Bin Rong' data_cd2386 _database_code_CSD 209243 _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C40 H33 N4 O2.50 I2 Rh' _chemical_formula_weight 966.41 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' I I -0.4742 1.8119 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Orthorhombic _symmetry_space_group_name_H-M P2(1)2(1)2(1) loop_ _symmetry_equiv_pos_as_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 17.4433(9) _cell_length_b 17.9331(9) _cell_length_c 27.9530(14) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 8744.0(8) _cell_formula_units_Z 8 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used 4371 _cell_measurement_theta_min 4.771 _cell_measurement_theta_max 32.545 _exptl_crystal_description ? _exptl_crystal_colour red _exptl_crystal_size_max 0.215 _exptl_crystal_size_mid 0.098 _exptl_crystal_size_min 0.062 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.468 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 3776 _exptl_absorpt_coefficient_mu 1.838 _exptl_absorpt_correction_type sadabs _exptl_absorpt_correction_T_min 0.83825 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 293(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 'CCD area detector' _diffrn_measurement_method 'phi and omega scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 53351 _diffrn_reflns_av_R_equivalents 0.1202 _diffrn_reflns_av_sigmaI/netI 0.2273 _diffrn_reflns_limit_h_min -21 _diffrn_reflns_limit_h_max 23 _diffrn_reflns_limit_k_min -22 _diffrn_reflns_limit_k_max 22 _diffrn_reflns_limit_l_min -35 _diffrn_reflns_limit_l_max 30 _diffrn_reflns_theta_min 1.87 _diffrn_reflns_theta_max 28.32 _reflns_number_total 20291 _reflns_number_gt 7436 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Bruker SMART' _computing_cell_refinement 'Bruker SMART' _computing_data_reduction 'Bruker SHELXTL' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker 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^)+(0.0760P)^2^+0.0000P] 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 SHELXL _refine_ls_extinction_coef 0.00063(7) _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881' _refine_ls_abs_structure_Flack 0.07(3) _refine_ls_number_reflns 20291 _refine_ls_number_parameters 874 _refine_ls_number_restraints 5 _refine_ls_R_factor_all 0.1872 _refine_ls_R_factor_gt 0.0663 _refine_ls_wR_factor_ref 0.1940 _refine_ls_wR_factor_gt 0.1599 _refine_ls_goodness_of_fit_ref 0.834 _refine_ls_restrained_S_all 0.835 _refine_ls_shift/su_max 0.383 _refine_ls_shift/su_mean 0.022 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 Rh1 Rh 0.32672(7) 0.41016(6) 0.21026(4) 0.0518(3) Uani 1 1 d . . . Rh2 Rh 0.35679(7) 0.24106(6) 0.57680(4) 0.0575(3) Uani 1 1 d . . . I1 I 0.45777(6) 0.47180(6) 0.18204(3) 0.0691(3) Uani 1 1 d . . . I2 I 0.19244(7) 0.34440(6) 0.22544(4) 0.0770(4) Uani 1 1 d . . . I3 I 0.44947(10) 0.28002(9) 0.64737(6) 0.1314(6) Uani 1 1 d . . . I4 I 0.26421(6) 0.21788(6) 0.50252(4) 0.0765(4) Uani 1 1 d . . . O1 O 0.2857(6) 0.4397(6) 0.1393(3) 0.062(3) Uani 1 1 d . . . O2 O 0.3389(5) 0.3290(5) 0.1530(3) 0.061(3) Uani 1 1 d . . . O3 O 0.2997(6) 0.3457(5) 0.5858(4) 0.080(3) Uani 1 1 d . . . O4 O 0.3958(6) 0.3375(6) 0.5377(4) 0.081(4) Uani 1 1 d . . . O5 O 0.5963(18) 0.2437(19) -0.0020(11) 0.295(13) Uiso 1 1 d D . . N1 N 0.2526(7) 0.5534(6) 0.2300(4) 0.062(3) Uani 1 1 d . . . N2 N 0.3458(6) 0.5432(6) 0.2781(4) 0.051(3) Uani 1 1 d . . . N3 N 0.4203(7) 0.2988(6) 0.2623(3) 0.057(3) Uani 1 1 d . . . N4 N 0.3442(6) 0.3459(6) 0.3120(3) 0.049(3) Uani 1 1 d . . . N5 N 0.4950(7) 0.1825(6) 0.5307(4) 0.054(3) Uani 1 1 d . . . N6 N 0.4112(6) 0.0943(7) 0.5357(4) 0.051(3) Uani 1 1 d . . . N7 N 0.2316(7) 0.1915(6) 0.6374(4) 0.057(3) Uani 1 1 d . . . N8 N 0.3269(7) 0.1257(6) 0.6519(4) 0.055(3) Uani 1 1 d . . . C1 C 0.3036(8) 0.5034(8) 0.2435(5) 0.055(4) Uani 1 1 d . . . C2 C 0.2586(8) 0.6230(7) 0.2521(5) 0.046(3) Uani 1 1 d . . . C3 C 0.2169(9) 0.6873(9) 0.2455(6) 0.070(5) Uani 1 1 d . . . H3 H 0.1777 0.6922 0.2232 0.084 Uiso 1 1 calc R . . C4 C 0.2404(11) 0.7442(9) 0.2762(6) 0.080(5) Uani 1 1 d . . . H4 H 0.2134 0.7888 0.2754 0.096 Uiso 1 1 calc R . . C5 C 0.2986(11) 0.7387(9) 0.3062(6) 0.080(5) Uani 1 1 d . . . H5 H 0.3114 0.7799 0.3248 0.096 Uiso 1 1 calc R . . C6 C 0.3409(9) 0.6749(9) 0.3111(5) 0.068(4) Uani 1 1 d . . . H6 H 0.3820 0.6712 0.3321 0.081 Uiso 1 1 calc R . . C7 C 0.3178(8) 0.6165(7) 0.2826(5) 0.050(3) Uani 1 1 d . . . C8 C 0.4107(9) 0.5184(7) 0.3059(5) 0.057(4) Uani 1 1 d . . . C9 C 0.4909(11) 0.5445(8) 0.2985(6) 0.076(6) Uani 1 1 d . . . H9 H 0.5034 0.5722 0.2715 0.091 Uiso 1 1 calc R . . C10 C 0.5430(9) 0.5285(10) 0.3296(6) 0.075(5) Uani 1 1 d . . . H10 H 0.5920 0.5469 0.3239 0.090 Uiso 1 1 calc R . . C11 C 0.5338(9) 0.4894(8) 0.3679(5) 0.053(4) Uani 1 1 d . . . C12 C 0.5966(10) 0.4731(11) 0.3937(5) 0.074(5) Uani 1 1 d . . . H12 H 0.6455 0.4869 0.3839 0.089 Uiso 1 1 calc R . . C13 C 0.5852(11) 0.4379(12) 0.4321(9) 0.112(8) Uani 1 1 d . . . H13 H 0.6276 0.4290 0.4515 0.134 Uiso 1 1 calc R . . C14 C 0.5108(13) 0.4098(10) 0.4489(6) 0.096(6) Uani 1 1 d . . . H14 H 0.5060 0.3820 0.4769 0.116 Uiso 1 1 calc R . . C15 C 0.4494(9) 0.4268(8) 0.4211(5) 0.065(4) Uani 1 1 d . . . H15 H 0.4005 0.4135 0.4312 0.078 Uiso 1 1 calc R . . C16 C 0.4583(8) 0.4632(7) 0.3786(4) 0.044(3) Uani 1 1 d . . . C17 C 0.3971(8) 0.4807(7) 0.3490(4) 0.044(3) Uani 1 1 d . . . C18 C 0.3186(8) 0.4559(7) 0.3603(4) 0.046(3) Uani 1 1 d . . . C19 C 0.2722(8) 0.4988(7) 0.3915(4) 0.045(3) Uani 1 1 d . . . C20 C 0.2988(10) 0.5627(8) 0.4113(5) 0.064(4) Uani 1 1 d . . . H20 H 0.3472 0.5815 0.4042 0.076 Uiso 1 1 calc R . . C21 C 0.2516(11) 0.5970(10) 0.4414(6) 0.082(5) Uani 1 1 d . . . H21 H 0.2693 0.6397 0.4568 0.099 Uiso 1 1 calc R . . C22 C 0.1791(11) 0.5737(10) 0.4513(5) 0.073(5) Uani 1 1 d . . . H22 H 0.1478 0.6018 0.4713 0.088 Uiso 1 1 calc R . . C23 C 0.1530(10) 0.5099(9) 0.4322(5) 0.070(4) Uani 1 1 d . . . H23 H 0.1039 0.4928 0.4392 0.084 Uiso 1 1 calc R . . C24 C 0.1983(9) 0.4719(9) 0.4034(5) 0.065(4) Uani 1 1 d . . . C25 C 0.1739(9) 0.4037(10) 0.3822(5) 0.070(5) Uani 1 1 d . . . H25 H 0.1262 0.3849 0.3909 0.084 Uiso 1 1 calc R . . C26 C 0.2159(8) 0.3648(8) 0.3505(5) 0.060(4) Uani 1 1 d . . . H26 H 0.1973 0.3210 0.3369 0.072 Uiso 1 1 calc R . . C27 C 0.2884(8) 0.3925(7) 0.3385(4) 0.049(4) Uani 1 1 d . . . C28 C 0.3824(8) 0.2873(7) 0.3336(4) 0.051(4) Uani 1 1 d . . . C29 C 0.3763(8) 0.2632(8) 0.3812(6) 0.065(4) Uani 1 1 d . . . H29 H 0.3446 0.2855 0.4038 0.079 Uiso 1 1 calc R . . C30 C 0.4251(12) 0.1995(10) 0.3914(6) 0.090(6) Uani 1 1 d . . . H30 H 0.4217 0.1788 0.4218 0.108 Uiso 1 1 calc R . . C31 C 0.4741(11) 0.1680(10) 0.3611(6) 0.088(6) Uani 1 1 d . . . H31 H 0.5046 0.1278 0.3701 0.106 Uiso 1 1 calc R . . C32 C 0.4775(10) 0.1994(8) 0.3138(5) 0.078(5) Uani 1 1 d . . . H32 H 0.5117 0.1813 0.2910 0.094 Uiso 1 1 calc R . . C33 C 0.4283(9) 0.2573(7) 0.3032(5) 0.055(4) Uani 1 1 d . . . C34 C 0.3666(8) 0.3536(8) 0.2654(5) 0.055(4) Uani 1 1 d . . . C35 C 0.4627(10) 0.2748(9) 0.2154(5) 0.083(5) Uani 1 1 d . . . H35A H 0.4257 0.2653 0.1907 0.125 Uiso 1 1 calc R . . H35B H 0.4919 0.2304 0.2213 0.125 Uiso 1 1 calc R . . H35C H 0.4965 0.3140 0.2053 0.125 Uiso 1 1 calc R . . C36 C 0.1947(10) 0.5461(8) 0.1902(6) 0.088(6) Uani 1 1 d . . . H36A H 0.1993 0.5879 0.1689 0.133 Uiso 1 1 calc R . . H36B H 0.1440 0.5451 0.2036 0.133 Uiso 1 1 calc R . . H36C H 0.2039 0.5008 0.1729 0.133 Uiso 1 1 calc R . . C37 C 0.3062(9) 0.3777(10) 0.1230(5) 0.063(4) Uani 1 1 d . . . C38 C 0.2893(12) 0.3533(8) 0.0736(4) 0.099(7) Uani 1 1 d . . . H38A H 0.2448 0.3218 0.0736 0.149 Uiso 1 1 calc R . . H38B H 0.3323 0.3261 0.0612 0.149 Uiso 1 1 calc R . . H38C H 0.2799 0.3962 0.0539 0.149 Uiso 1 1 calc R . . C39 C 0.4248(8) 0.1640(7) 0.5508(4) 0.042(3) Uani 1 1 d . . . C40 C 0.5243(8) 0.1262(7) 0.5028(5) 0.048(3) Uani 1 1 d . . . C41 C 0.5914(9) 0.1165(9) 0.4764(5) 0.062(4) Uani 1 1 d . . . H41 H 0.6294 0.1529 0.4771 0.075 Uiso 1 1 calc R . . C42 C 0.6015(10) 0.0527(11) 0.4491(6) 0.072(5) Uani 1 1 d . . . H42 H 0.6447 0.0481 0.4298 0.087 Uiso 1 1 calc R . . C43 C 0.5498(11) -0.0023(10) 0.4504(5) 0.074(5) Uani 1 1 d . . . H43 H 0.5574 -0.0435 0.4307 0.089 Uiso 1 1 calc R . . C44 C 0.4833(8) -0.0013(8) 0.4803(5) 0.057(4) Uani 1 1 d . . . H44 H 0.4509 -0.0422 0.4833 0.069 Uiso 1 1 calc R . . C45 C 0.4702(8) 0.0692(7) 0.5058(5) 0.053(4) Uani 1 1 d . . . C46 C 0.3515(8) 0.0420(7) 0.5471(4) 0.046(3) Uani 1 1 d . . . C47 C 0.2996(8) 0.0217(8) 0.5094(5) 0.060(4) Uani 1 1 d . . . H47 H 0.3022 0.0438 0.4794 0.072 Uiso 1 1 calc R . . C48 C 0.2453(8) -0.0325(10) 0.5199(8) 0.090(6) Uani 1 1 d . . . H48 H 0.2105 -0.0436 0.4957 0.108 Uiso 1 1 calc R . . C49 C 0.2373(11) -0.0708(8) 0.5610(7) 0.077(5) Uani 1 1 d . . . C50 C 0.1833(11) -0.1249(10) 0.5663(8) 0.094(7) Uani 1 1 d . . . H50 H 0.1497 -0.1348 0.5413 0.113 Uiso 1 1 calc R . . C51 C 0.1779(13) -0.1630(10) 0.6056(10) 0.107(7) Uani 1 1 d . . . H51 H 0.1399 -0.1989 0.6093 0.128 Uiso 1 1 calc R . . C52 C 0.2284(13) -0.1494(11) 0.6411(8) 0.104(7) Uani 1 1 d . . . H52 H 0.2265 -0.1768 0.6693 0.125 Uiso 1 1 calc R . . C53 C 0.2828(11) -0.0948(10) 0.6351(7) 0.090(5) Uani 1 1 d . . . H53 H 0.3163 -0.0861 0.6604 0.108 Uiso 1 1 calc R . . C54 C 0.2914(9) -0.0522(8) 0.5948(5) 0.055(4) Uani 1 1 d . . . C55 C 0.3485(8) 0.0038(7) 0.5876(5) 0.047(3) Uani 1 1 d . . . C56 C 0.4029(8) 0.0214(9) 0.6241(5) 0.054(4) Uani 1 1 d . . . C57 C 0.4735(10) -0.0283(10) 0.6323(6) 0.077(5) Uani 1 1 d . . . C58 C 0.4803(9) -0.0931(9) 0.6058(6) 0.075(5) Uani 1 1 d . . . H58 H 0.4481 -0.1046 0.5803 0.089 Uiso 1 1 calc R . . C59 C 0.5410(15) -0.1404(12) 0.6211(8) 0.116(8) Uani 1 1 d . . . H59 H 0.5443 -0.1855 0.6048 0.139 Uiso 1 1 calc R . . C60 C 0.5886(15) -0.1318(16) 0.6516(9) 0.129(10) Uani 1 1 d . . . H60 H 0.6252 -0.1679 0.6585 0.155 Uiso 1 1 calc R . . C61 C 0.5857(12) -0.0681(14) 0.6746(7) 0.101(7) Uani 1 1 d . . . H61 H 0.6249 -0.0564 0.6959 0.121 Uiso 1 1 calc R . . C62 C 0.5255(12) -0.0166(14) 0.6683(8) 0.101(6) Uani 1 1 d . . . C63 C 0.5203(11) 0.0481(16) 0.6960(8) 0.112(9) Uani 1 1 d . . . H63 H 0.5572 0.0600 0.7188 0.134 Uiso 1 1 calc R . . C64 C 0.4585(14) 0.0926(12) 0.6880(6) 0.113(8) Uani 1 1 d . . . H64 H 0.4534 0.1339 0.7079 0.135 Uiso 1 1 calc R . . C65 C 0.3992(9) 0.0827(10) 0.6515(5) 0.062(4) Uani 1 1 d . . . C66 C 0.2711(10) 0.1044(10) 0.6846(6) 0.073(5) Uani 1 1 d . . . C67 C 0.2658(12) 0.0523(9) 0.7238(7) 0.094(6) Uani 1 1 d . . . H67 H 0.3049 0.0196 0.7322 0.112 Uiso 1 1 calc R . . C68 C 0.1923(17) 0.0567(14) 0.7486(7) 0.121(10) Uani 1 1 d . . . H68 H 0.1858 0.0268 0.7755 0.146 Uiso 1 1 calc R . . C69 C 0.1358(15) 0.0989(14) 0.7361(10) 0.122(10) Uani 1 1 d . . . H69 H 0.0898 0.0956 0.7528 0.146 Uiso 1 1 calc R . . C70 C 0.1415(10) 0.1467(10) 0.7003(6) 0.078(5) Uani 1 1 d . . . H70 H 0.1004 0.1774 0.6924 0.094 Uiso 1 1 calc R . . C71 C 0.2104(11) 0.1503(10) 0.6741(6) 0.074(5) Uani 1 1 d . . . C72 C 0.3030(9) 0.1791(7) 0.6214(5) 0.053(4) Uani 1 1 d . . . C73 C 0.1776(10) 0.2435(10) 0.6190(6) 0.090(5) Uani 1 1 d . . . H73A H 0.1813 0.2894 0.6365 0.135 Uiso 1 1 calc R . . H73B H 0.1268 0.2236 0.6223 0.135 Uiso 1 1 calc R . . H73C H 0.1882 0.2526 0.5858 0.135 Uiso 1 1 calc R . . C74 C 0.5386(9) 0.2506(7) 0.5360(6) 0.078(5) Uani 1 1 d . . . H74A H 0.5820 0.2494 0.5149 0.117 Uiso 1 1 calc R . . H74B H 0.5560 0.2551 0.5685 0.117 Uiso 1 1 calc R . . H74C H 0.5068 0.2925 0.5282 0.117 Uiso 1 1 calc R . . C75 C 0.3457(11) 0.3767(9) 0.5571(6) 0.077(5) Uani 1 1 d . . . C76 C 0.3316(12) 0.4592(8) 0.5462(8) 0.132(9) Uani 1 1 d . . . H76A H 0.3163 0.4646 0.5134 0.198 Uiso 1 1 calc R . . H76B H 0.3779 0.4869 0.5517 0.198 Uiso 1 1 calc R . . H76C H 0.2918 0.4778 0.5667 0.198 Uiso 1 1 calc R . . C77 C 0.547(2) 0.1774(19) 0.0092(14) 0.242(16) Uiso 1 1 d D . . C78 C 0.535(3) 0.214(2) 0.0576(14) 0.29(2) Uiso 1 1 d D . . C79 C 0.562(2) 0.2923(19) 0.0760(11) 0.212(13) Uiso 1 1 d D . . C80 C 0.619(2) 0.301(2) 0.0349(13) 0.248(18) Uiso 1 1 d D . . 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 Rh1 0.0661(8) 0.0506(6) 0.0387(6) 0.0084(5) -0.0061(5) 0.0029(6) Rh2 0.0594(8) 0.0532(7) 0.0600(7) 0.0056(6) 0.0176(6) 0.0021(6) I1 0.0749(7) 0.0863(8) 0.0461(6) 0.0101(5) 0.0020(5) -0.0081(6) I2 0.0740(8) 0.0871(8) 0.0699(7) 0.0061(6) -0.0065(6) -0.0130(6) I3 0.1346(14) 0.1322(13) 0.1272(13) -0.0207(10) 0.0225(11) -0.0259(11) I4 0.0725(8) 0.0942(8) 0.0628(7) 0.0166(6) 0.0034(6) 0.0255(6) O1 0.068(7) 0.067(7) 0.051(6) 0.008(5) -0.002(5) 0.005(6) O2 0.060(7) 0.070(6) 0.053(6) 0.010(5) -0.009(5) -0.002(5) O3 0.077(8) 0.056(6) 0.106(9) 0.001(6) 0.035(7) 0.023(6) O4 0.084(8) 0.071(7) 0.087(8) 0.028(6) 0.047(6) 0.037(6) N1 0.070(9) 0.056(8) 0.060(8) 0.012(6) -0.014(7) 0.018(7) N2 0.056(8) 0.052(7) 0.044(7) -0.001(5) 0.001(6) 0.006(6) N3 0.088(9) 0.048(7) 0.034(7) 0.001(5) 0.001(6) 0.019(7) N4 0.062(8) 0.052(7) 0.031(6) -0.003(5) 0.008(5) -0.001(6) N5 0.051(8) 0.053(8) 0.059(8) 0.011(6) 0.004(6) 0.017(6) N6 0.026(6) 0.067(8) 0.059(7) 0.001(6) 0.004(5) 0.010(6) N7 0.058(8) 0.063(8) 0.052(8) 0.000(6) 0.009(7) 0.021(7) N8 0.052(8) 0.071(8) 0.043(7) 0.009(6) 0.000(6) -0.022(7) C1 0.045(9) 0.080(11) 0.041(8) 0.012(7) -0.009(7) -0.011(8) C2 0.062(10) 0.032(7) 0.044(8) 0.002(6) 0.008(7) -0.005(7) C3 0.060(11) 0.082(12) 0.067(11) 0.039(9) -0.013(8) -0.003(9) C4 0.093(14) 0.071(11) 0.076(12) -0.004(10) -0.013(11) 0.030(10) C5 0.113(16) 0.064(12) 0.064(11) -0.002(9) 0.016(11) 0.001(11) C6 0.061(11) 0.073(11) 0.069(11) 0.021(9) -0.012(8) -0.023(9) C7 0.055(9) 0.046(8) 0.049(9) 0.017(7) 0.003(8) -0.002(7) C8 0.080(12) 0.039(8) 0.051(9) -0.014(7) -0.009(8) 0.011(8) C9 0.108(15) 0.066(11) 0.054(10) -0.016(8) 0.059(10) -0.033(10) C10 0.040(9) 0.103(13) 0.081(13) -0.013(11) -0.027(9) -0.008(9) C11 0.067(11) 0.053(9) 0.040(8) 0.008(7) -0.004(8) 0.013(8) C12 0.062(12) 0.124(16) 0.035(9) -0.014(10) 0.012(8) -0.012(11) C13 0.038(11) 0.129(19) 0.17(2) -0.034(16) -0.010(14) 0.024(11) C14 0.133(19) 0.086(13) 0.070(12) 0.046(10) 0.003(12) 0.034(13) C15 0.044(9) 0.088(11) 0.063(10) 0.000(9) -0.001(8) 0.004(8) C16 0.060(9) 0.045(8) 0.028(7) 0.008(6) 0.002(7) -0.015(7) C17 0.050(9) 0.039(8) 0.043(8) 0.004(6) 0.001(7) 0.012(7) C18 0.064(10) 0.038(8) 0.036(7) 0.005(6) 0.005(7) 0.003(7) C19 0.044(9) 0.059(9) 0.032(7) 0.002(6) -0.001(6) 0.004(7) C20 0.070(11) 0.065(10) 0.056(10) -0.019(8) -0.002(8) 0.010(9) C21 0.094(15) 0.076(12) 0.078(12) 0.005(10) -0.006(11) -0.016(11) C22 0.083(14) 0.081(13) 0.056(10) 0.005(9) 0.004(9) 0.011(11) C23 0.070(12) 0.083(12) 0.058(10) 0.012(9) 0.012(9) -0.013(10) C24 0.068(11) 0.073(11) 0.054(9) -0.003(9) 0.020(8) 0.004(10) C25 0.056(10) 0.103(13) 0.051(9) 0.023(9) 0.022(8) 0.006(10) C26 0.051(10) 0.075(11) 0.053(9) 0.014(8) -0.001(8) -0.020(8) C27 0.061(10) 0.041(8) 0.046(8) 0.011(6) -0.004(7) -0.003(7) C28 0.073(10) 0.047(8) 0.032(7) 0.031(7) 0.005(7) 0.024(8) C29 0.054(10) 0.063(10) 0.079(11) -0.005(9) 0.002(8) 0.017(8) C30 0.131(18) 0.097(14) 0.042(10) 0.014(9) -0.014(10) -0.011(13) C31 0.107(15) 0.090(13) 0.067(12) 0.005(10) 0.008(11) 0.046(11) C32 0.123(16) 0.061(10) 0.049(10) 0.001(8) -0.012(10) 0.022(10) C33 0.079(11) 0.035(8) 0.052(9) 0.000(7) -0.007(8) 0.016(8) C34 0.055(9) 0.065(10) 0.045(9) 0.004(7) -0.008(7) -0.001(8) C35 0.111(14) 0.086(11) 0.054(10) 0.010(8) 0.022(10) 0.044(11) C36 0.086(13) 0.073(11) 0.107(14) -0.017(10) -0.031(11) 0.030(10) C37 0.066(11) 0.090(12) 0.034(8) -0.004(8) 0.012(8) -0.005(10) C38 0.20(2) 0.071(11) 0.023(8) 0.003(7) -0.038(10) -0.002(12) C39 0.043(8) 0.039(8) 0.045(8) -0.003(6) 0.004(6) -0.005(6) C40 0.050(9) 0.046(8) 0.050(8) 0.012(7) -0.006(7) -0.018(7) C41 0.055(10) 0.077(12) 0.055(9) 0.017(8) 0.014(8) -0.003(8) C42 0.065(12) 0.091(14) 0.060(11) 0.031(10) 0.009(9) 0.022(11) C43 0.082(13) 0.091(14) 0.049(10) -0.001(9) -0.006(9) 0.033(12) C44 0.060(10) 0.070(10) 0.043(8) -0.012(7) -0.024(7) 0.007(8) C45 0.061(10) 0.056(9) 0.042(8) 0.017(7) -0.020(7) 0.011(8) C46 0.052(9) 0.046(8) 0.039(8) -0.008(6) -0.007(7) -0.013(7) C47 0.048(9) 0.074(10) 0.058(9) 0.001(8) -0.003(7) 0.014(8) C48 0.026(9) 0.076(12) 0.17(2) -0.014(13) -0.017(10) -0.003(9) C49 0.095(14) 0.044(10) 0.091(13) 0.016(9) 0.008(11) -0.018(9) C50 0.076(13) 0.059(12) 0.147(19) -0.028(12) 0.045(13) -0.027(10) C51 0.091(17) 0.055(13) 0.18(2) -0.008(14) -0.001(17) -0.027(12) C52 0.105(17) 0.085(14) 0.123(19) 0.047(13) 0.032(15) 0.012(13) C53 0.091(15) 0.082(13) 0.097(14) 0.013(11) 0.006(11) 0.022(12) C54 0.064(11) 0.057(10) 0.043(9) 0.007(7) 0.005(8) 0.004(8) C55 0.047(9) 0.048(8) 0.046(9) 0.004(6) 0.002(7) -0.002(7) C56 0.047(9) 0.074(11) 0.041(8) 0.028(8) 0.008(7) 0.006(8) C57 0.087(14) 0.083(13) 0.061(11) 0.033(10) 0.012(10) 0.013(11) C58 0.074(12) 0.071(11) 0.079(12) 0.012(10) 0.012(9) 0.016(10) C59 0.14(2) 0.106(16) 0.096(16) 0.029(13) 0.016(15) 0.074(16) C60 0.14(2) 0.13(2) 0.12(2) 0.033(17) -0.067(18) 0.014(18) C61 0.076(14) 0.14(2) 0.088(16) 0.040(14) -0.026(11) 0.011(15) C62 0.086(16) 0.121(18) 0.095(16) 0.015(14) -0.025(13) 0.008(14) C63 0.048(12) 0.17(2) 0.115(19) 0.036(17) -0.035(12) 0.010(14) C64 0.15(2) 0.133(18) 0.052(11) -0.058(12) 0.026(13) -0.088(18) C65 0.065(11) 0.082(12) 0.039(9) 0.003(8) 0.014(8) -0.010(9) C66 0.056(11) 0.102(13) 0.061(10) 0.004(10) 0.004(9) -0.019(10) C67 0.117(17) 0.075(12) 0.089(14) 0.002(10) -0.022(13) 0.000(11) C68 0.16(2) 0.13(2) 0.069(13) -0.008(13) 0.053(16) -0.117(19) C69 0.107(19) 0.12(2) 0.14(2) -0.072(18) 0.024(18) 0.017(17) C70 0.064(12) 0.092(13) 0.079(13) 0.005(10) 0.029(10) -0.015(10) C71 0.085(14) 0.088(13) 0.048(10) -0.009(9) 0.006(9) -0.019(11) C72 0.071(11) 0.044(8) 0.045(8) -0.010(6) -0.009(8) 0.014(8) C73 0.075(13) 0.111(15) 0.084(12) -0.008(11) 0.012(10) -0.015(12) C74 0.059(10) 0.041(9) 0.133(15) 0.007(9) 0.037(10) -0.015(8) C75 0.086(14) 0.058(10) 0.087(12) 0.018(9) 0.030(11) -0.004(10) C76 0.14(2) 0.039(10) 0.21(2) 0.063(12) 0.074(17) 0.036(11) _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 Rh1 C1 1.956(14) . ? Rh1 C34 1.972(13) . ? Rh1 O2 2.174(9) . ? Rh1 O1 2.175(9) . ? Rh1 C37 2.532(14) . ? Rh1 I2 2.6565(16) . ? Rh1 I1 2.6589(16) . ? Rh2 C72 1.915(15) . ? Rh2 C39 1.961(13) . ? Rh2 O3 2.139(9) . ? Rh2 O4 2.157(10) . ? Rh2 C75 2.501(15) . ? Rh2 I3 2.644(2) . ? Rh2 I4 2.6632(17) . ? O1 C37 1.253(16) . ? O2 C37 1.339(17) . ? O3 C75 1.263(17) . ? O4 C75 1.246(18) . ? O5 C77 1.501(18) . ? O5 C80 1.508(19) . ? N1 C1 1.318(16) . ? N1 C2 1.395(15) . ? N1 C36 1.509(18) . ? N2 C1 1.407(15) . ? N2 C7 1.409(15) . ? N2 C8 1.444(17) . ? N3 C34 1.360(16) . ? N3 C33 1.371(15) . ? N3 C35 1.567(16) . ? N4 C34 1.368(15) . ? N4 C28 1.383(15) . ? N4 C27 1.481(16) . ? N5 C40 1.375(16) . ? N5 C39 1.387(16) . ? N5 C74 1.446(16) . ? N6 C39 1.341(15) . ? N6 C45 1.400(16) . ? N6 C46 1.438(16) . ? N7 C71 1.317(18) . ? N7 C72 1.342(17) . ? N7 C73 1.421(18) . ? N8 C72 1.349(16) . ? N8 C66 1.389(18) . ? N8 C65 1.478(18) . ? C2 C7 1.345(18) . ? C2 C3 1.374(18) . ? C3 C4 1.39(2) . ? C3 H3 0.9300 . ? C4 C5 1.32(2) . ? C4 H4 0.9300 . ? C5 C6 1.37(2) . ? C5 H5 0.9300 . ? C6 C7 1.376(18) . ? C6 H6 0.9300 . ? C8 C17 1.402(18) . ? C8 C9 1.49(2) . ? C9 C10 1.29(2) . ? C9 H9 0.9300 . ? C10 C11 1.29(2) . ? C10 H10 0.9300 . ? C11 C12 1.34(2) . ? C11 C16 1.430(19) . ? C12 C13 1.26(2) . ? C12 H12 0.9300 . ? C13 C14 1.47(3) . ? C13 H13 0.9300 . ? C14 C15 1.36(2) . ? C14 H14 0.9300 . ? C15 C16 1.365(17) . ? C15 H15 0.9300 . ? C16 C17 1.387(17) . ? C17 C18 1.475(18) . ? C18 C27 1.393(17) . ? C18 C19 1.416(17) . ? C19 C20 1.356(17) . ? C19 C24 1.415(19) . ? C20 C21 1.33(2) . ? C20 H20 0.9300 . ? C21 C22 1.36(2) . ? C21 H21 0.9300 . ? C22 C23 1.34(2) . ? C22 H22 0.9300 . ? C23 C24 1.317(19) . ? C23 H23 0.9300 . ? C24 C25 1.42(2) . ? C25 C26 1.346(19) . ? C25 H25 0.9300 . ? C26 C27 1.400(18) . ? C26 H26 0.9300 . ? C28 C33 1.285(17) . ? C28 C29 1.403(18) . ? C29 C30 1.45(2) . ? C29 H29 0.9300 . ? C30 C31 1.33(2) . ? C30 H30 0.9300 . ? C31 C32 1.44(2) . ? C31 H31 0.9300 . ? C32 C33 1.378(18) . ? C32 H32 0.9300 . ? C35 H35A 0.9600 . ? C35 H35B 0.9600 . ? C35 H35C 0.9600 . ? C36 H36A 0.9600 . ? C36 H36B 0.9600 . ? C36 H36C 0.9600 . ? C37 C38 1.479(18) . ? C38 H38A 0.9600 . ? C38 H38B 0.9600 . ? C38 H38C 0.9600 . ? C40 C45 1.395(17) . ? C40 C41 1.394(18) . ? C41 C42 1.39(2) . ? C41 H41 0.9300 . ? C42 C43 1.34(2) . ? C42 H42 0.9300 . ? C43 C44 1.43(2) . ? C43 H43 0.9300 . ? C44 C45 1.470(18) . ? C44 H44 0.9300 . ? C46 C55 1.323(16) . ? C46 C47 1.437(17) . ? C47 C48 1.39(2) . ? C47 H47 0.9300 . ? C48 C49 1.35(2) . ? C48 H48 0.9300 . ? C49 C50 1.36(2) . ? C49 C54 1.38(2) . ? C50 C51 1.30(3) . ? C50 H50 0.9300 . ? C51 C52 1.35(3) . ? C51 H51 0.9300 . ? C52 C53 1.37(2) . ? C52 H52 0.9300 . ? C53 C54 1.37(2) . ? C53 H53 0.9300 . ? C54 C55 1.429(18) . ? C55 C56 1.428(18) . ? C56 C65 1.34(2) . ? C56 C57 1.54(2) . ? C57 C62 1.37(2) . ? C57 C58 1.38(2) . ? C58 C59 1.42(2) . ? C58 H58 0.9300 . ? C59 C60 1.20(3) . ? C59 H59 0.9300 . ? C60 C61 1.31(3) . ? C60 H60 0.9300 . ? C61 C62 1.41(3) . ? C61 H61 0.9300 . ? C62 C63 1.40(3) . ? C63 C64 1.36(3) . ? C63 H63 0.9300 . ? C64 C65 1.46(2) . ? C64 H64 0.9300 . ? C66 C71 1.37(2) . ? C66 C67 1.44(2) . ? C67 C68 1.46(3) . ? C67 H67 0.9300 . ? C68 C69 1.29(3) . ? C68 H68 0.9300 . ? C69 C70 1.32(3) . ? C69 H69 0.9300 . ? C70 C71 1.41(2) . ? C70 H70 0.9300 . ? C73 H73A 0.9600 . ? C73 H73B 0.9600 . ? C73 H73C 0.9600 . ? C74 H74A 0.9600 . ? C74 H74B 0.9600 . ? C74 H74C 0.9600 . ? C75 C76 1.53(2) . ? C76 H76A 0.9600 . ? C76 H76B 0.9600 . ? C76 H76C 0.9600 . ? C77 C78 1.522(19) . ? C78 C79 1.561(19) . ? C79 C80 1.532(19) . ? 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 Rh1 C34 98.1(6) . . ? C1 Rh1 O2 160.5(4) . . ? C34 Rh1 O2 101.3(5) . . ? C1 Rh1 O1 99.1(5) . . ? C34 Rh1 O1 162.6(5) . . ? O2 Rh1 O1 61.6(3) . . ? C1 Rh1 C37 128.7(6) . . ? C34 Rh1 C37 133.2(6) . . ? O2 Rh1 C37 31.9(4) . . ? O1 Rh1 C37 29.6(4) . . ? C1 Rh1 I2 97.0(4) . . ? C34 Rh1 I2 87.6(4) . . ? O2 Rh1 I2 84.7(2) . . ? O1 Rh1 I2 87.9(3) . . ? C37 Rh1 I2 85.8(3) . . ? C1 Rh1 I1 87.9(4) . . ? C34 Rh1 I1 98.2(4) . . ? O2 Rh1 I1 88.6(2) . . ? O1 Rh1 I1 84.9(3) . . ? C37 Rh1 I1 86.1(3) . . ? I2 Rh1 I1 171.88(5) . . ? C72 Rh2 C39 97.4(5) . . ? C72 Rh2 O3 101.8(5) . . ? C39 Rh2 O3 160.6(5) . . ? C72 Rh2 O4 161.8(5) . . ? C39 Rh2 O4 100.8(4) . . ? O3 Rh2 O4 60.2(4) . . ? C72 Rh2 C75 132.0(6) . . ? C39 Rh2 C75 130.6(6) . . ? O3 Rh2 C75 30.3(4) . . ? O4 Rh2 C75 29.9(4) . . ? C72 Rh2 I3 88.1(4) . . ? C39 Rh2 I3 95.3(4) . . ? O3 Rh2 I3 88.0(3) . . ? O4 Rh2 I3 88.5(3) . . ? C75 Rh2 I3 87.4(4) . . ? C72 Rh2 I4 96.9(4) . . ? C39 Rh2 I4 88.2(4) . . ? O3 Rh2 I4 86.9(3) . . ? O4 Rh2 I4 85.5(3) . . ? C75 Rh2 I4 86.2(4) . . ? I3 Rh2 I4 173.50(7) . . ? C37 O1 Rh1 91.2(8) . . ? C37 O2 Rh1 89.0(8) . . ? C75 O3 Rh2 90.9(9) . . ? C75 O4 Rh2 90.5(9) . . ? C77 O5 C80 123(3) . . ? C1 N1 C2 115.6(12) . . ? C1 N1 C36 127.2(12) . . ? C2 N1 C36 116.9(11) . . ? C1 N2 C7 110.7(11) . . ? C1 N2 C8 128.6(11) . . ? C7 N2 C8 120.7(11) . . ? C34 N3 C33 114.2(11) . . ? C34 N3 C35 125.2(11) . . ? C33 N3 C35 120.1(11) . . ? C34 N4 C28 110.7(11) . . ? C34 N4 C27 127.5(11) . . ? C28 N4 C27 121.8(10) . . ? C40 N5 C39 112.5(11) . . ? C40 N5 C74 118.9(11) . . ? C39 N5 C74 128.7(12) . . ? C39 N6 C45 111.0(11) . . ? C39 N6 C46 131.8(11) . . ? C45 N6 C46 117.1(11) . . ? C71 N7 C72 115.2(14) . . ? C71 N7 C73 117.6(15) . . ? C72 N7 C73 127.1(13) . . ? C72 N8 C66 113.3(14) . . ? C72 N8 C65 129.0(12) . . ? C66 N8 C65 117.3(13) . . ? N1 C1 N2 101.8(12) . . ? N1 C1 Rh1 125.8(10) . . ? N2 C1 Rh1 130.6(10) . . ? C7 C2 C3 124.3(13) . . ? C7 C2 N1 105.1(12) . . ? C3 C2 N1 130.7(14) . . ? C2 C3 C4 112.2(13) . . ? C2 C3 H3 123.9 . . ? C4 C3 H3 123.9 . . ? C5 C4 C3 124.2(16) . . ? C5 C4 H4 117.9 . . ? C3 C4 H4 117.9 . . ? C4 C5 C6 122.7(16) . . ? C4 C5 H5 118.6 . . ? C6 C5 H5 118.7 . . ? C5 C6 C7 114.9(15) . . ? C5 C6 H6 122.6 . . ? C7 C6 H6 122.6 . . ? C2 C7 C6 121.8(13) . . ? C2 C7 N2 106.9(12) . . ? C6 C7 N2 131.4(14) . . ? C17 C8 N2 118.6(13) . . ? C17 C8 C9 115.5(13) . . ? N2 C8 C9 124.4(14) . . ? C10 C9 C8 119.8(15) . . ? C10 C9 H9 120.1 . . ? C8 C9 H9 120.1 . . ? C9 C10 C11 126.4(17) . . ? C9 C10 H10 116.8 . . ? C11 C10 H10 116.8 . . ? C10 C11 C12 117.6(16) . . ? C10 C11 C16 117.8(14) . . ? C12 C11 C16 124.6(14) . . ? C13 C12 C11 116.0(17) . . ? C13 C12 H12 122.0 . . ? C11 C12 H12 122.0 . . ? C12 C13 C14 125.6(19) . . ? C12 C13 H13 117.2 . . ? C14 C13 H13 117.2 . . ? C15 C14 C13 115.9(15) . . ? C15 C14 H14 122.0 . . ? C13 C14 H14 122.1 . . ? C16 C15 C14 121.0(15) . . ? C16 C15 H15 119.5 . . ? C14 C15 H15 119.5 . . ? C15 C16 C17 122.7(13) . . ? C15 C16 C11 116.4(13) . . ? C17 C16 C11 120.7(11) . . ? C16 C17 C8 119.4(13) . . ? C16 C17 C18 121.2(11) . . ? C8 C17 C18 119.2(12) . . ? C27 C18 C19 119.8(13) . . ? C27 C18 C17 120.2(12) . . ? C19 C18 C17 119.9(12) . . ? C20 C19 C24 120.2(14) . . ? C20 C19 C18 121.0(14) . . ? C24 C19 C18 118.7(13) . . ? C21 C20 C19 116.0(16) . . ? C21 C20 H20 122.0 . . ? C19 C20 H20 122.0 . . ? C20 C21 C22 124.3(18) . . ? C20 C21 H21 117.9 . . ? C22 C21 H21 117.8 . . ? C23 C22 C21 119.7(17) . . ? C23 C22 H22 120.1 . . ? C21 C22 H22 120.2 . . ? C24 C23 C22 118.7(17) . . ? C24 C23 H23 120.7 . . ? C22 C23 H23 120.6 . . ? C23 C24 C19 120.9(16) . . ? C23 C24 C25 121.2(16) . . ? C19 C24 C25 117.8(14) . . ? C26 C25 C24 123.8(15) . . ? C26 C25 H25 118.1 . . ? C24 C25 H25 118.1 . . ? C25 C26 C27 117.7(14) . . ? C25 C26 H26 121.1 . . ? C27 C26 H26 121.1 . . ? C18 C27 C26 121.8(13) . . ? C18 C27 N4 115.5(12) . . ? C26 C27 N4 120.9(12) . . ? C33 C28 N4 109.3(11) . . ? C33 C28 C29 123.0(12) . . ? N4 C28 C29 127.7(13) . . ? C28 C29 C30 112.5(13) . . ? C28 C29 H29 123.7 . . ? C30 C29 H29 123.7 . . ? C31 C30 C29 125.9(15) . . ? C31 C30 H30 117.0 . . ? C29 C30 H30 117.0 . . ? C30 C31 C32 116.5(16) . . ? C30 C31 H31 121.8 . . ? C32 C31 H31 121.8 . . ? C33 C32 C31 117.7(15) . . ? C33 C32 H32 121.1 . . ? C31 C32 H32 121.1 . . ? C28 C33 N3 105.1(11) . . ? C28 C33 C32 124.2(14) . . ? N3 C33 C32 130.5(14) . . ? N3 C34 N4 100.6(11) . . ? N3 C34 Rh1 124.5(10) . . ? N4 C34 Rh1 134.0(11) . . ? N3 C35 H35A 109.5 . . ? N3 C35 H35B 109.4 . . ? H35A C35 H35B 109.5 . . ? N3 C35 H35C 109.5 . . ? H35A C35 H35C 109.5 . . ? H35B C35 H35C 109.5 . . ? N1 C36 H36A 109.5 . . ? N1 C36 H36B 109.5 . . ? H36A C36 H36B 109.5 . . ? N1 C36 H36C 109.4 . . ? H36A C36 H36C 109.5 . . ? H36B C36 H36C 109.5 . . ? O1 C37 O2 118.3(12) . . ? O1 C37 C38 123.0(15) . . ? O2 C37 C38 118.4(15) . . ? O1 C37 Rh1 59.2(7) . . ? O2 C37 Rh1 59.1(7) . . ? C38 C37 Rh1 174.7(12) . . ? C37 C38 H38A 109.5 . . ? C37 C38 H38B 109.4 . . ? H38A C38 H38B 109.5 . . ? C37 C38 H38C 109.5 . . ? H38A C38 H38C 109.5 . . ? H38B C38 H38C 109.5 . . ? N6 C39 N5 104.6(11) . . ? N6 C39 Rh2 131.8(10) . . ? N5 C39 Rh2 121.0(9) . . ? N5 C40 C45 104.7(12) . . ? N5 C40 C41 134.8(13) . . ? C45 C40 C41 120.5(14) . . ? C42 C41 C40 120.1(15) . . ? C42 C41 H41 120.0 . . ? C40 C41 H41 120.0 . . ? C43 C42 C41 120.6(16) . . ? C43 C42 H42 119.7 . . ? C41 C42 H42 119.7 . . ? C42 C43 C44 123.6(16) . . ? C42 C43 H43 118.2 . . ? C44 C43 H43 118.2 . . ? C43 C44 C45 114.9(14) . . ? C43 C44 H44 122.5 . . ? C45 C44 H44 122.5 . . ? C40 C45 N6 107.3(12) . . ? C40 C45 C44 119.7(14) . . ? N6 C45 C44 133.0(13) . . ? C55 C46 C47 118.1(12) . . ? C55 C46 N6 123.8(12) . . ? C47 C46 N6 117.3(12) . . ? C48 C47 C46 116.9(14) . . ? C48 C47 H47 121.6 . . ? C46 C47 H47 121.5 . . ? C49 C48 C47 127.4(17) . . ? C49 C48 H48 116.4 . . ? C47 C48 H48 116.2 . . ? C48 C49 C50 122(2) . . ? C48 C49 C54 113.0(15) . . ? C50 C49 C54 124.9(18) . . ? C51 C50 C49 121(2) . . ? C51 C50 H50 119.3 . . ? C49 C50 H50 119.4 . . ? C50 C51 C52 119(2) . . ? C50 C51 H51 120.6 . . ? C52 C51 H51 120.6 . . ? C51 C52 C53 119.3(19) . . ? C51 C52 H52 120.3 . . ? C53 C52 H52 120.4 . . ? C52 C53 C54 124.9(19) . . ? C52 C53 H53 117.5 . . ? C54 C53 H53 117.6 . . ? C53 C54 C49 110.8(16) . . ? C53 C54 C55 125.7(15) . . ? C49 C54 C55 123.5(13) . . ? C46 C55 C56 118.1(12) . . ? C46 C55 C54 120.7(13) . . ? C56 C55 C54 121.2(12) . . ? C65 C56 C55 123.9(14) . . ? C65 C56 C57 115.4(15) . . ? C55 C56 C57 120.6(15) . . ? C62 C57 C58 117.8(19) . . ? C62 C57 C56 123.4(18) . . ? C58 C57 C56 118.4(17) . . ? C57 C58 C59 113.8(18) . . ? C57 C58 H58 123.1 . . ? C59 C58 H58 123.1 . . ? C60 C59 C58 131(3) . . ? C60 C59 H59 114.7 . . ? C58 C59 H59 114.7 . . ? C59 C60 C61 116(3) . . ? C59 C60 H60 122.2 . . ? C61 C60 H60 122.1 . . ? C60 C61 C62 122(2) . . ? C60 C61 H61 118.8 . . ? C62 C61 H61 118.7 . . ? C57 C62 C63 119(2) . . ? C57 C62 C61 119(2) . . ? C63 C62 C61 121(2) . . ? C64 C63 C62 117(2) . . ? C64 C63 H63 121.8 . . ? C62 C63 H63 121.7 . . ? C63 C64 C65 127.2(18) . . ? C63 C64 H64 116.3 . . ? C65 C64 H64 116.5 . . ? C56 C65 N8 118.2(14) . . ? C56 C65 C64 117.6(17) . . ? N8 C65 C64 122.3(16) . . ? C71 C66 N8 103.6(15) . . ? C71 C66 C67 120.1(16) . . ? N8 C66 C67 136.3(18) . . ? C66 C67 C68 112.5(18) . . ? C66 C67 H67 123.8 . . ? C68 C67 H67 123.7 . . ? C69 C68 C67 125(2) . . ? C69 C68 H68 117.4 . . ? C67 C68 H68 117.6 . . ? C68 C69 C70 122(3) . . ? C68 C69 H69 119.2 . . ? C70 C69 H69 119.1 . . ? C69 C70 C71 119(2) . . ? C69 C70 H70 120.4 . . ? C71 C70 H70 120.3 . . ? N7 C71 C66 106.7(16) . . ? N7 C71 C70 132.1(19) . . ? C66 C71 C70 121.2(17) . . ? N7 C72 N8 101.2(12) . . ? N7 C72 Rh2 125.1(10) . . ? N8 C72 Rh2 132.2(12) . . ? N7 C73 H73A 109.5 . . ? N7 C73 H73B 109.5 . . ? H73A C73 H73B 109.5 . . ? N7 C73 H73C 109.4 . . ? H73A C73 H73C 109.5 . . ? H73B C73 H73C 109.5 . . ? N5 C74 H74A 109.5 . . ? N5 C74 H74B 109.5 . . ? H74A C74 H74B 109.5 . . ? N5 C74 H74C 109.5 . . ? H74A C74 H74C 109.5 . . ? H74B C74 H74C 109.5 . . ? O4 C75 O3 118.3(14) . . ? O4 C75 C76 124.8(15) . . ? O3 C75 C76 116.8(16) . . ? O4 C75 Rh2 59.6(8) . . ? O3 C75 Rh2 58.8(7) . . ? C76 C75 Rh2 175.1(14) . . ? C75 C76 H76A 109.4 . . ? C75 C76 H76B 109.5 . . ? H76A C76 H76B 109.5 . . ? C75 C76 H76C 109.5 . . ? H76A C76 H76C 109.5 . . ? H76B C76 H76C 109.5 . . ? O5 C77 C78 86(3) . . ? C77 C78 C79 130(3) . . ? C80 C79 C78 92(3) . . ? O5 C80 C79 106(3) . . ? 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 Rh1 O1 C37 178.0(9) . . . . ? C34 Rh1 O1 C37 -10(2) . . . . ? O2 Rh1 O1 C37 -0.1(8) . . . . ? I2 Rh1 O1 C37 -85.2(8) . . . . ? I1 Rh1 O1 C37 91.0(9) . . . . ? C1 Rh1 O2 C37 -5.3(18) . . . . ? C34 Rh1 O2 C37 177.1(9) . . . . ? O1 Rh1 O2 C37 0.1(8) . . . . ? I2 Rh1 O2 C37 90.6(8) . . . . ? I1 Rh1 O2 C37 -84.8(8) . . . . ? C72 Rh2 O3 C75 175.9(11) . . . . ? C39 Rh2 O3 C75 -12(2) . . . . ? O4 Rh2 O3 C75 -1.1(10) . . . . ? I3 Rh2 O3 C75 88.3(10) . . . . ? I4 Rh2 O3 C75 -87.7(10) . . . . ? C72 Rh2 O4 C75 -8(2) . . . . ? C39 Rh2 O4 C75 177.5(11) . . . . ? O3 Rh2 O4 C75 1.1(10) . . . . ? I3 Rh2 O4 C75 -87.4(10) . . . . ? I4 Rh2 O4 C75 90.2(10) . . . . ? C2 N1 C1 N2 1.1(15) . . . . ? C36 N1 C1 N2 174.3(13) . . . . ? C2 N1 C1 Rh1 -165.0(9) . . . . ? C36 N1 C1 Rh1 8(2) . . . . ? C7 N2 C1 N1 -1.1(14) . . . . ? C8 N2 C1 N1 -179.4(12) . . . . ? C7 N2 C1 Rh1 164.0(10) . . . . ? C8 N2 C1 Rh1 -14(2) . . . . ? C34 Rh1 C1 N1 -155.3(12) . . . . ? O2 Rh1 C1 N1 27(2) . . . . ? O1 Rh1 C1 N1 22.3(13) . . . . ? C37 Rh1 C1 N1 23.5(15) . . . . ? I2 Rh1 C1 N1 -66.7(12) . . . . ? I1 Rh1 C1 N1 106.7(12) . . . . ? C34 Rh1 C1 N2 42.7(13) . . . . ? O2 Rh1 C1 N2 -134.9(12) . . . . ? O1 Rh1 C1 N2 -139.7(11) . . . . ? C37 Rh1 C1 N2 -138.5(11) . . . . ? I2 Rh1 C1 N2 131.3(11) . . . . ? I1 Rh1 C1 N2 -55.2(12) . . . . ? C1 N1 C2 C7 -0.7(16) . . . . ? C36 N1 C2 C7 -174.7(12) . . . . ? C1 N1 C2 C3 178.0(14) . . . . ? C36 N1 C2 C3 4(2) . . . . ? C7 C2 C3 C4 -3(2) . . . . ? N1 C2 C3 C4 178.2(14) . . . . ? C2 C3 C4 C5 4(2) . . . . ? C3 C4 C5 C6 -2(3) . . . . ? C4 C5 C6 C7 0(2) . . . . ? C3 C2 C7 C6 1(2) . . . . ? N1 C2 C7 C6 -179.8(12) . . . . ? C3 C2 C7 N2 -178.8(12) . . . . ? N1 C2 C7 N2 -0.1(14) . . . . ? C5 C6 C7 C2 1(2) . . . . ? C5 C6 C7 N2 -179.0(13) . . . . ? C1 N2 C7 C2 0.7(14) . . . . ? C8 N2 C7 C2 179.2(12) . . . . ? C1 N2 C7 C6 -179.6(14) . . . . ? C8 N2 C7 C6 -1(2) . . . . ? C1 N2 C8 C17 -86.4(16) . . . . ? C7 N2 C8 C17 95.4(14) . . . . ? C1 N2 C8 C9 108.3(15) . . . . ? C7 N2 C8 C9 -69.9(17) . . . . ? C17 C8 C9 C10 3(2) . . . . ? N2 C8 C9 C10 169.2(14) . . . . ? C8 C9 C10 C11 2(3) . . . . ? C9 C10 C11 C12 174.1(17) . . . . ? C9 C10 C11 C16 -3(3) . . . . ? C10 C11 C12 C13 176.7(18) . . . . ? C16 C11 C12 C13 -7(3) . . . . ? C11 C12 C13 C14 4(3) . . . . ? C12 C13 C14 C15 -3(3) . . . . ? C13 C14 C15 C16 5(2) . . . . ? C14 C15 C16 C17 179.1(15) . . . . ? C14 C15 C16 C11 -7(2) . . . . ? C10 C11 C16 C15 -175.2(14) . . . . ? C12 C11 C16 C15 8(2) . . . . ? C10 C11 C16 C17 -1(2) . . . . ? C12 C11 C16 C17 -177.7(14) . . . . ? C15 C16 C17 C8 179.7(12) . . . . ? C11 C16 C17 C8 5.9(19) . . . . ? C15 C16 C17 C18 -4(2) . . . . ? C11 C16 C17 C18 -178.2(12) . . . . ? N2 C8 C17 C16 -173.5(11) . . . . ? C9 C8 C17 C16 -6.8(18) . . . . ? N2 C8 C17 C18 10.6(17) . . . . ? C9 C8 C17 C18 177.3(11) . . . . ? C16 C17 C18 C27 -98.3(15) . . . . ? C8 C17 C18 C27 77.6(15) . . . . ? C16 C17 C18 C19 85.1(15) . . . . ? C8 C17 C18 C19 -99.1(15) . . . . ? C27 C18 C19 C20 -176.7(12) . . . . ? C17 C18 C19 C20 0.0(18) . . . . ? C27 C18 C19 C24 6.1(18) . . . . ? C17 C18 C19 C24 -177.2(12) . . . . ? C24 C19 C20 C21 0(2) . . . . ? C18 C19 C20 C21 -177.4(13) . . . . ? C19 C20 C21 C22 -3(2) . . . . ? C20 C21 C22 C23 4(3) . . . . ? C21 C22 C23 C24 -1(2) . . . . ? C22 C23 C24 C19 -2(2) . . . . ? C22 C23 C24 C25 179.7(14) . . . . ? C20 C19 C24 C23 3(2) . . . . ? C18 C19 C24 C23 -179.9(14) . . . . ? C20 C19 C24 C25 -178.8(13) . . . . ? C18 C19 C24 C25 -1.6(19) . . . . ? C23 C24 C25 C26 176.0(15) . . . . ? C19 C24 C25 C26 -2(2) . . . . ? C24 C25 C26 C27 2(2) . . . . ? C19 C18 C27 C26 -7.1(18) . . . . ? C17 C18 C27 C26 176.2(12) . . . . ? C19 C18 C27 N4 -171.9(10) . . . . ? C17 C18 C27 N4 11.4(16) . . . . ? C25 C26 C27 C18 3.3(19) . . . . ? C25 C26 C27 N4 167.3(12) . . . . ? C34 N4 C27 C18 -87.2(16) . . . . ? C28 N4 C27 C18 91.6(14) . . . . ? C34 N4 C27 C26 107.9(15) . . . . ? C28 N4 C27 C26 -73.4(17) . . . . ? C34 N4 C28 C33 0.2(17) . . . . ? C27 N4 C28 C33 -178.7(12) . . . . ? C34 N4 C28 C29 178.4(14) . . . . ? C27 N4 C28 C29 -1(2) . . . . ? C33 C28 C29 C30 -2(2) . . . . ? N4 C28 C29 C30 179.9(14) . . . . ? C28 C29 C30 C31 4(3) . . . . ? C29 C30 C31 C32 -1(3) . . . . ? C30 C31 C32 C33 -2(3) . . . . ? N4 C28 C33 N3 1.5(17) . . . . ? C29 C28 C33 N3 -176.8(14) . . . . ? N4 C28 C33 C32 177.1(14) . . . . ? C29 C28 C33 C32 -1(3) . . . . ? C34 N3 C33 C28 -2.9(17) . . . . ? C35 N3 C33 C28 -174.9(14) . . . . ? C34 N3 C33 C32 -178.1(15) . . . . ? C35 N3 C33 C32 10(2) . . . . ? C31 C32 C33 C28 4(2) . . . . ? C31 C32 C33 N3 177.9(16) . . . . ? C33 N3 C34 N4 2.9(15) . . . . ? C35 N3 C34 N4 174.4(13) . . . . ? C33 N3 C34 Rh1 -167.7(10) . . . . ? C35 N3 C34 Rh1 4(2) . . . . ? C28 N4 C34 N3 -1.9(14) . . . . ? C27 N4 C34 N3 177.0(12) . . . . ? C28 N4 C34 Rh1 167.3(12) . . . . ? C27 N4 C34 Rh1 -14(2) . . . . ? C1 Rh1 C34 N3 -150.4(12) . . . . ? O2 Rh1 C34 N3 28.8(13) . . . . ? O1 Rh1 C34 N3 38(2) . . . . ? C37 Rh1 C34 N3 30.9(16) . . . . ? I2 Rh1 C34 N3 112.9(12) . . . . ? I1 Rh1 C34 N3 -61.4(12) . . . . ? C1 Rh1 C34 N4 42.5(14) . . . . ? O2 Rh1 C34 N4 -138.3(13) . . . . ? O1 Rh1 C34 N4 -129.4(15) . . . . ? C37 Rh1 C34 N4 -136.2(12) . . . . ? I2 Rh1 C34 N4 -54.2(13) . . . . ? I1 Rh1 C34 N4 131.5(13) . . . . ? Rh1 O1 C37 O2 0.2(14) . . . . ? Rh1 O1 C37 C38 174.3(15) . . . . ? Rh1 O2 C37 O1 -0.2(14) . . . . ? Rh1 O2 C37 C38 -174.6(14) . . . . ? C1 Rh1 C37 O1 -2.5(12) . . . . ? C34 Rh1 C37 O1 175.9(8) . . . . ? O2 Rh1 C37 O1 179.8(14) . . . . ? I2 Rh1 C37 O1 93.1(8) . . . . ? I1 Rh1 C37 O1 -86.6(8) . . . . ? C1 Rh1 C37 O2 177.8(7) . . . . ? C34 Rh1 C37 O2 -3.9(12) . . . . ? O1 Rh1 C37 O2 -179.8(14) . . . . ? I2 Rh1 C37 O2 -86.6(7) . . . . ? I1 Rh1 C37 O2 93.7(7) . . . . ? C1 Rh1 C37 C38 -119(15) . . . . ? C34 Rh1 C37 C38 60(15) . . . . ? O2 Rh1 C37 C38 64(15) . . . . ? O1 Rh1 C37 C38 -116(15) . . . . ? I2 Rh1 C37 C38 -23(15) . . . . ? I1 Rh1 C37 C38 157(15) . . . . ? C45 N6 C39 N5 -1.3(13) . . . . ? C46 N6 C39 N5 174.1(12) . . . . ? C45 N6 C39 Rh2 160.0(9) . . . . ? C46 N6 C39 Rh2 -25(2) . . . . ? C40 N5 C39 N6 1.2(14) . . . . ? C74 N5 C39 N6 -178.3(13) . . . . ? C40 N5 C39 Rh2 -162.6(9) . . . . ? C74 N5 C39 Rh2 17.9(18) . . . . ? C72 Rh2 C39 N6 46.6(13) . . . . ? O3 Rh2 C39 N6 -125.5(15) . . . . ? O4 Rh2 C39 N6 -135.2(12) . . . . ? C75 Rh2 C39 N6 -133.5(12) . . . . ? I3 Rh2 C39 N6 135.4(12) . . . . ? I4 Rh2 C39 N6 -50.1(12) . . . . ? C72 Rh2 C39 N5 -154.7(10) . . . . ? O3 Rh2 C39 N5 33(2) . . . . ? O4 Rh2 C39 N5 23.6(11) . . . . ? C75 Rh2 C39 N5 25.2(13) . . . . ? I3 Rh2 C39 N5 -65.9(10) . . . . ? I4 Rh2 C39 N5 108.6(10) . . . . ? C39 N5 C40 C45 -0.6(14) . . . . ? C74 N5 C40 C45 178.9(11) . . . . ? C39 N5 C40 C41 -178.5(15) . . . . ? C74 N5 C40 C41 1(2) . . . . ? N5 C40 C41 C42 -176.1(14) . . . . ? C45 C40 C41 C42 6(2) . . . . ? C40 C41 C42 C43 -5(2) . . . . ? C41 C42 C43 C44 -2(2) . . . . ? C42 C43 C44 C45 7(2) . . . . ? N5 C40 C45 N6 -0.2(13) . . . . ? C41 C40 C45 N6 178.1(11) . . . . ? N5 C40 C45 C44 -179.4(10) . . . . ? C41 C40 C45 C44 -1.1(19) . . . . ? C39 N6 C45 C40 0.9(14) . . . . ? C46 N6 C45 C40 -175.2(10) . . . . ? C39 N6 C45 C44 180.0(12) . . . . ? C46 N6 C45 C44 3.8(19) . . . . ? C43 C44 C45 C40 -5.3(17) . . . . ? C43 C44 C45 N6 175.8(13) . . . . ? C39 N6 C46 C55 -76.0(19) . . . . ? C45 N6 C46 C55 99.2(15) . . . . ? C39 N6 C46 C47 114.4(15) . . . . ? C45 N6 C46 C47 -70.4(15) . . . . ? C55 C46 C47 C48 5.6(19) . . . . ? N6 C46 C47 C48 175.8(12) . . . . ? C46 C47 C48 C49 -3(2) . . . . ? C47 C48 C49 C50 -177.4(16) . . . . ? C47 C48 C49 C54 -1(3) . . . . ? C48 C49 C50 C51 177.7(19) . . . . ? C54 C49 C50 C51 2(3) . . . . ? C49 C50 C51 C52 -2(3) . . . . ? C50 C51 C52 C53 2(3) . . . . ? C51 C52 C53 C54 -1(3) . . . . ? C52 C53 C54 C49 1(2) . . . . ? C52 C53 C54 C55 -178.6(16) . . . . ? C48 C49 C54 C53 -177.4(15) . . . . ? C50 C49 C54 C53 -1(2) . . . . ? C48 C49 C54 C55 2(2) . . . . ? C50 C49 C54 C55 178.3(15) . . . . ? C47 C46 C55 C56 176.7(12) . . . . ? N6 C46 C55 C56 7(2) . . . . ? C47 C46 C55 C54 -4.8(19) . . . . ? N6 C46 C55 C54 -174.3(12) . . . . ? C53 C54 C55 C46 -179.7(14) . . . . ? C49 C54 C55 C46 1(2) . . . . ? C53 C54 C55 C56 -1(2) . . . . ? C49 C54 C55 C56 179.4(14) . . . . ? C46 C55 C56 C65 74.4(18) . . . . ? C54 C55 C56 C65 -104.1(16) . . . . ? C46 C55 C56 C57 -101.9(15) . . . . ? C54 C55 C56 C57 79.6(16) . . . . ? C65 C56 C57 C62 7(2) . . . . ? C55 C56 C57 C62 -176.5(16) . . . . ? C65 C56 C57 C58 179.0(14) . . . . ? C55 C56 C57 C58 -4(2) . . . . ? C62 C57 C58 C59 2(2) . . . . ? C56 C57 C58 C59 -170.9(14) . . . . ? C57 C58 C59 C60 -4(4) . . . . ? C58 C59 C60 C61 -1(5) . . . . ? C59 C60 C61 C62 7(4) . . . . ? C58 C57 C62 C63 -179.7(18) . . . . ? C56 C57 C62 C63 -8(3) . . . . ? C58 C57 C62 C61 4(3) . . . . ? C56 C57 C62 C61 176.1(16) . . . . ? C60 C61 C62 C57 -9(3) . . . . ? C60 C61 C62 C63 175(2) . . . . ? C57 C62 C63 C64 6(3) . . . . ? C61 C62 C63 C64 -177.9(19) . . . . ? C62 C63 C64 C65 -4(3) . . . . ? C55 C56 C65 N8 14(2) . . . . ? C57 C56 C65 N8 -169.2(11) . . . . ? C55 C56 C65 C64 179.1(13) . . . . ? C57 C56 C65 C64 -4.4(19) . . . . ? C72 N8 C65 C56 -84.8(18) . . . . ? C66 N8 C65 C56 87.6(16) . . . . ? C72 N8 C65 C64 111.1(17) . . . . ? C66 N8 C65 C64 -76.5(18) . . . . ? C63 C64 C65 C56 4(3) . . . . ? C63 C64 C65 N8 167.8(18) . . . . ? C72 N8 C66 C71 -2.3(17) . . . . ? C65 N8 C66 C71 -175.9(12) . . . . ? C72 N8 C66 C67 -179.6(17) . . . . ? C65 N8 C66 C67 7(3) . . . . ? C71 C66 C67 C68 -1(2) . . . . ? N8 C66 C67 C68 176.2(17) . . . . ? C66 C67 C68 C69 4(3) . . . . ? C67 C68 C69 C70 -4(4) . . . . ? C68 C69 C70 C71 2(3) . . . . ? C72 N7 C71 C66 -0.8(18) . . . . ? C73 N7 C71 C66 179.1(13) . . . . ? C72 N7 C71 C70 -179.6(16) . . . . ? C73 N7 C71 C70 0(3) . . . . ? N8 C66 C71 N7 1.8(17) . . . . ? C67 C66 C71 N7 179.6(14) . . . . ? N8 C66 C71 C70 -179.2(14) . . . . ? C67 C66 C71 C70 -1(2) . . . . ? C69 C70 C71 N7 179.8(18) . . . . ? C69 C70 C71 C66 1(3) . . . . ? C71 N7 C72 N8 -0.6(16) . . . . ? C73 N7 C72 N8 179.5(13) . . . . ? C71 N7 C72 Rh2 -168.2(10) . . . . ? C73 N7 C72 Rh2 12(2) . . . . ? C66 N8 C72 N7 1.8(15) . . . . ? C65 N8 C72 N7 174.5(13) . . . . ? C66 N8 C72 Rh2 168.1(11) . . . . ? C65 N8 C72 Rh2 -19(2) . . . . ? C39 Rh2 C72 N7 -153.8(11) . . . . ? O3 Rh2 C72 N7 23.5(12) . . . . ? O4 Rh2 C72 N7 32(2) . . . . ? C75 Rh2 C72 N7 26.3(15) . . . . ? I3 Rh2 C72 N7 111.1(11) . . . . ? I4 Rh2 C72 N7 -64.8(11) . . . . ? C39 Rh2 C72 N8 42.7(13) . . . . ? O3 Rh2 C72 N8 -140.0(12) . . . . ? O4 Rh2 C72 N8 -131.8(16) . . . . ? C75 Rh2 C72 N8 -137.2(12) . . . . ? I3 Rh2 C72 N8 -52.4(12) . . . . ? I4 Rh2 C72 N8 131.7(12) . . . . ? Rh2 O4 C75 O3 -1.9(17) . . . . ? Rh2 O4 C75 C76 -177.3(18) . . . . ? Rh2 O3 C75 O4 1.9(17) . . . . ? Rh2 O3 C75 C76 177.7(16) . . . . ? C72 Rh2 C75 O4 176.6(9) . . . . ? C39 Rh2 C75 O4 -3.3(14) . . . . ? O3 Rh2 C75 O4 -178.0(18) . . . . ? I3 Rh2 C75 O4 91.5(10) . . . . ? I4 Rh2 C75 O4 -87.6(10) . . . . ? C72 Rh2 C75 O3 -5.4(14) . . . . ? C39 Rh2 C75 O3 174.8(9) . . . . ? O4 Rh2 C75 O3 178.0(18) . . . . ? I3 Rh2 C75 O3 -90.5(10) . . . . ? I4 Rh2 C75 O3 90.5(10) . . . . ? C72 Rh2 C75 C76 -31(17) . . . . ? C39 Rh2 C75 C76 150(16) . . . . ? O3 Rh2 C75 C76 -25(16) . . . . ? O4 Rh2 C75 C76 153(17) . . . . ? I3 Rh2 C75 C76 -116(17) . . . . ? I4 Rh2 C75 C76 65(17) . . . . ? C80 O5 C77 C78 9(5) . . . . ? O5 C77 C78 C79 5(6) . . . . ? C77 C78 C79 C80 -15(6) . . . . ? C77 O5 C80 C79 -19(5) . . . . ? C78 C79 C80 O5 16(4) . . . . ? _diffrn_measured_fraction_theta_max 0.960 _diffrn_reflns_theta_full 28.32 _diffrn_measured_fraction_theta_full 0.960 _refine_diff_density_max 0.720 _refine_diff_density_min -1.123 _refine_diff_density_rms 0.131 data_cd23102 _database_code_CSD 209244 _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C52 H50 N4 I2 Rh2' _chemical_formula_weight 1190.58 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' I I -0.4742 1.8119 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Orthorhombic _symmetry_space_group_name_H-M P2(1)2(1)2(1) loop_ _symmetry_equiv_pos_as_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 12.1794(19) _cell_length_b 19.027(3) _cell_length_c 20.291(3) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 4702.0(13) _cell_formula_units_Z 4 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used 3597 _cell_measurement_theta_min 4.449 _cell_measurement_theta_max 38.256 _exptl_crystal_description ? _exptl_crystal_colour red _exptl_crystal_size_max 0.432 _exptl_crystal_size_mid 0.201 _exptl_crystal_size_min 0.126 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.682 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 2344 _exptl_absorpt_coefficient_mu 2.054 _exptl_absorpt_correction_type sadabs _exptl_absorpt_correction_T_min 0.65866 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 293(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 'CCD area detector' _diffrn_measurement_method 'phi and omega scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 24301 _diffrn_reflns_av_R_equivalents 0.0970 _diffrn_reflns_av_sigmaI/netI 0.1282 _diffrn_reflns_limit_h_min -14 _diffrn_reflns_limit_h_max 14 _diffrn_reflns_limit_k_min -22 _diffrn_reflns_limit_k_max 22 _diffrn_reflns_limit_l_min -24 _diffrn_reflns_limit_l_max 15 _diffrn_reflns_theta_min 1.47 _diffrn_reflns_theta_max 25.50 _reflns_number_total 8726 _reflns_number_gt 5341 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Bruker SMART' _computing_cell_refinement 'Bruker SMART' _computing_data_reduction 'Bruker SHELXTL' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker 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^)+(0.0630P)^2^+0.0000P] 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 SHELXL _refine_ls_extinction_coef 0.00061(11) _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881' _refine_ls_abs_structure_Flack 0.00(5) _refine_ls_number_reflns 8726 _refine_ls_number_parameters 540 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.1068 _refine_ls_R_factor_gt 0.0650 _refine_ls_wR_factor_ref 0.1505 _refine_ls_wR_factor_gt 0.1363 _refine_ls_goodness_of_fit_ref 0.943 _refine_ls_restrained_S_all 0.943 _refine_ls_shift/su_max 0.010 _refine_ls_shift/su_mean 0.001 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 Rh1 Rh 0.79529(9) 0.12707(5) 0.42068(5) 0.0488(3) Uani 1 1 d . . . Rh2 Rh 1.10816(9) 0.05376(6) 0.08716(5) 0.0519(3) Uani 1 1 d . . . I1 I 0.66317(7) 0.02831(5) 0.36890(5) 0.0590(3) Uani 1 1 d . . . I2 I 1.19272(10) 0.18107(5) 0.10889(5) 0.0720(3) Uani 1 1 d . . . N1 N 0.8654(8) 0.1893(5) 0.2855(5) 0.042(3) Uani 1 1 d . . . N2 N 0.7029(10) 0.2168(6) 0.3166(6) 0.058(3) Uani 1 1 d . . . N3 N 0.8798(8) 0.0800(5) 0.1546(5) 0.044(3) Uani 1 1 d . . . N4 N 0.8968(11) 0.1297(8) 0.0607(6) 0.075(4) Uani 1 1 d . . . C1 C 1.0182(9) 0.1057(6) 0.2729(6) 0.034(3) Uani 1 1 d . . . C2 C 1.1384(9) 0.0937(7) 0.2756(6) 0.042(3) Uani 1 1 d . . . C3 C 1.1842(10) 0.0284(7) 0.2636(5) 0.046(3) Uani 1 1 d . . . H1 H 1.1381 -0.0087 0.2526 0.056 Uiso 1 1 calc R . . C4 C 1.2947(14) 0.0164(9) 0.2673(6) 0.067(4) Uani 1 1 d . . . H2 H 1.3237 -0.0282 0.2607 0.081 Uiso 1 1 calc R . . C5 C 1.3651(13) 0.0759(10) 0.2820(8) 0.074(5) Uani 1 1 d . . . H3 H 1.4408 0.0699 0.2835 0.089 Uiso 1 1 calc R . . C6 C 1.3223(15) 0.1388(10) 0.2933(7) 0.077(5) Uani 1 1 d . . . H4 H 1.3678 0.1764 0.3038 0.093 Uiso 1 1 calc R . . C7 C 1.2059(11) 0.1489(7) 0.2893(6) 0.049(3) Uani 1 1 d . . . C8 C 1.1617(13) 0.2199(7) 0.2986(6) 0.056(4) Uani 1 1 d . . . H5 H 1.2080 0.2579 0.3059 0.067 Uiso 1 1 calc R . . C9 C 1.0513(12) 0.2283(6) 0.2961(6) 0.046(3) Uani 1 1 d . . . H6 H 1.0222 0.2732 0.3011 0.055 Uiso 1 1 calc R . . C10 C 0.9786(10) 0.1713(7) 0.2861(6) 0.038(3) Uani 1 1 d . . . C11 C 0.7926(11) 0.1812(6) 0.3328(6) 0.041(3) Uani 1 1 d . . . C12 C 0.7220(12) 0.2553(8) 0.2577(9) 0.069(5) Uani 1 1 d . . . C13 C 0.6597(15) 0.3021(10) 0.2213(10) 0.087(6) Uani 1 1 d . . . H7 H 0.5889 0.3139 0.2345 0.104 Uiso 1 1 calc R . . C14 C 0.703(2) 0.3296(10) 0.1675(13) 0.113(8) Uani 1 1 d . . . H8 H 0.6596 0.3581 0.1407 0.136 Uiso 1 1 calc R . . C15 C 0.8140(19) 0.3166(9) 0.1498(8) 0.095(6) Uani 1 1 d . . . H9 H 0.8471 0.3412 0.1155 0.115 Uiso 1 1 calc R . . C16 C 0.8699(13) 0.2679(8) 0.1840(7) 0.063(4) Uani 1 1 d . . . H10 H 0.9395 0.2545 0.1700 0.076 Uiso 1 1 calc R . . C17 C 0.8266(11) 0.2382(6) 0.2381(7) 0.046(3) Uani 1 1 d . . . C18 C 0.6007(12) 0.2192(12) 0.3575(11) 0.141(11) Uani 1 1 d . . . H13 H 0.5758 0.1722 0.3660 0.211 Uiso 1 1 calc R . . H11 H 0.5447 0.2446 0.3343 0.211 Uiso 1 1 calc R . . H12 H 0.6160 0.2423 0.3986 0.211 Uiso 1 1 calc R . . C19 C 0.9307(16) 0.1874(11) 0.4517(8) 0.081(5) Uani 1 1 d . . . H14 H 0.9520 0.1874 0.4077 0.097 Uiso 1 1 calc R . . C20 C 0.8350(18) 0.2235(8) 0.4708(7) 0.078(5) Uani 1 1 d . . . H15 H 0.7984 0.2483 0.4380 0.094 Uiso 1 1 calc R . . C21 C 0.7842(19) 0.2262(9) 0.5404(7) 0.100(7) Uani 1 1 d . . . H16 H 0.8431 0.2285 0.5725 0.119 Uiso 1 1 calc R . . H17 H 0.7416 0.2691 0.5444 0.119 Uiso 1 1 calc R . . C22 C 0.7155(19) 0.1681(9) 0.5560(10) 0.106(7) Uani 1 1 d . . . H19 H 0.6399 0.1813 0.5475 0.128 Uiso 1 1 calc R . . H18 H 0.7220 0.1584 0.6027 0.128 Uiso 1 1 calc R . . C23 C 0.7403(16) 0.1010(8) 0.5182(7) 0.078(6) Uani 1 1 d . . . H20 H 0.6800 0.0792 0.4989 0.093 Uiso 1 1 calc R . . C24 C 0.8370(15) 0.0688(7) 0.5089(8) 0.071(5) Uani 1 1 d . . . H21 H 0.8416 0.0311 0.4798 0.085 Uiso 1 1 calc R . . C25 C 0.9384(15) 0.0932(11) 0.5449(10) 0.101(6) Uani 1 1 d . . . H22 H 0.9872 0.0537 0.5528 0.121 Uiso 1 1 calc R . . H23 H 0.9184 0.1135 0.5871 0.121 Uiso 1 1 calc R . . C26 C 0.9974(17) 0.1497(12) 0.5009(16) 0.142(11) Uani 1 1 d . . . H25 H 1.0300 0.1843 0.5300 0.171 Uiso 1 1 calc R . . H24 H 1.0571 0.1266 0.4778 0.171 Uiso 1 1 calc R . . C27 C 0.9472(9) 0.0417(5) 0.2615(6) 0.032(3) Uani 1 1 d . . . C28 C 0.9459(10) -0.0102(6) 0.3147(6) 0.042(3) Uani 1 1 d . . . C29 C 0.9992(10) -0.0069(7) 0.3743(7) 0.056(4) Uani 1 1 d . . . H26 H 1.0399 0.0333 0.3833 0.067 Uiso 1 1 calc R . . C30 C 0.9970(13) -0.0566(8) 0.4200(8) 0.067(4) Uani 1 1 d . . . H27 H 1.0324 -0.0504 0.4602 0.080 Uiso 1 1 calc R . . C31 C 0.9402(14) -0.1183(9) 0.4063(9) 0.089(6) Uani 1 1 d . . . H28 H 0.9385 -0.1534 0.4381 0.107 Uiso 1 1 calc R . . C32 C 0.8882(13) -0.1293(8) 0.3493(8) 0.066(4) Uani 1 1 d . . . H29 H 0.8527 -0.1717 0.3416 0.080 Uiso 1 1 calc R . . C33 C 0.8873(12) -0.0731(7) 0.2982(9) 0.065(4) Uani 1 1 d . . . C34 C 0.8285(12) -0.0838(6) 0.2422(7) 0.049(3) Uani 1 1 d . . . H30 H 0.7906 -0.1255 0.2349 0.059 Uiso 1 1 calc R . . C35 C 0.8277(11) -0.0312(7) 0.1977(7) 0.056(4) Uani 1 1 d . . . H31 H 0.7845 -0.0355 0.1601 0.068 Uiso 1 1 calc R . . C36 C 0.8903(9) 0.0296(7) 0.2067(6) 0.039(3) Uani 1 1 d . . . C37 C 0.9576(11) 0.0894(7) 0.1008(7) 0.055(4) Uiso 1 1 d . . . C38 C 0.7879(13) 0.1406(8) 0.0775(8) 0.066(4) Uani 1 1 d . . . C39 C 0.699(2) 0.1722(9) 0.0504(10) 0.104(7) Uani 1 1 d . . . H32 H 0.7049 0.1961 0.0106 0.125 Uiso 1 1 calc R . . C40 C 0.5976(16) 0.1685(11) 0.0835(12) 0.108(7) Uani 1 1 d . . . H33 H 0.5350 0.1869 0.0638 0.130 Uiso 1 1 calc R . . C41 C 0.5906(14) 0.1388(9) 0.1424(9) 0.078(5) Uani 1 1 d . . . H34 H 0.5244 0.1411 0.1652 0.093 Uiso 1 1 calc R . . C42 C 0.6783(11) 0.1047(8) 0.1710(8) 0.072(4) Uani 1 1 d . . . H35 H 0.6701 0.0813 0.2109 0.086 Uiso 1 1 calc R . . C43 C 0.7767(10) 0.1060(6) 0.1399(6) 0.041(3) Uani 1 1 d . . . C44 C 0.9354(16) 0.1587(10) -0.0031(7) 0.094(6) Uani 1 1 d . . . H37 H 1.0050 0.1815 0.0031 0.141 Uiso 1 1 calc R . . H36 H 0.8829 0.1923 -0.0192 0.141 Uiso 1 1 calc R . . H38 H 0.9432 0.1213 -0.0345 0.141 Uiso 1 1 calc R . . C45 C 1.0507(18) -0.0529(8) 0.0954(10) 0.082(6) Uani 1 1 d . . . H39 H 0.9928 -0.0414 0.1233 0.098 Uiso 1 1 calc R . . C46 C 1.0488(15) -0.0291(11) 0.0364(15) 0.124(9) Uani 1 1 d . . . H40 H 0.9981 0.0060 0.0266 0.149 Uiso 1 1 calc R . . C47 C 1.1291(17) -0.0561(12) -0.0233(9) 0.112(7) Uani 1 1 d . . . H41 H 1.1511 -0.1042 -0.0146 0.135 Uiso 1 1 calc R . . H42 H 1.0883 -0.0557 -0.0643 0.135 Uiso 1 1 calc R . . C48 C 1.2269(12) -0.0131(9) -0.0308(8) 0.075(5) Uani 1 1 d . . . H44 H 1.2143 0.0213 -0.0653 0.090 Uiso 1 1 calc R . . H43 H 1.2876 -0.0427 -0.0444 0.090 Uiso 1 1 calc R . . C49 C 1.2581(12) 0.0249(8) 0.0322(8) 0.065(4) Uani 1 1 d . . . H45 H 1.2717 0.0728 0.0282 0.077 Uiso 1 1 calc R . . C50 C 1.2680(11) -0.0010(10) 0.0904(9) 0.081(5) Uani 1 1 d . . . H46 H 1.2857 0.0287 0.1253 0.097 Uiso 1 1 calc R . . C51 C 1.2515(16) -0.0792(8) 0.1038(11) 0.094(6) Uani 1 1 d . . . H47 H 1.2726 -0.1056 0.0650 0.113 Uiso 1 1 calc R . . H48 H 1.2994 -0.0934 0.1397 0.113 Uiso 1 1 calc R . . C52 C 1.138(2) -0.0965(10) 0.1210(11) 0.113(7) Uani 1 1 d . . . H49 H 1.1242 -0.1443 0.1067 0.136 Uiso 1 1 calc R . . H50 H 1.1323 -0.0962 0.1687 0.136 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 Rh1 0.0550(6) 0.0496(6) 0.0418(6) -0.0041(5) 0.0088(6) -0.0090(5) Rh2 0.0607(6) 0.0548(7) 0.0402(6) -0.0045(5) 0.0087(6) -0.0066(5) I1 0.0568(5) 0.0631(6) 0.0570(6) -0.0128(5) 0.0055(5) -0.0089(5) I2 0.1030(9) 0.0489(6) 0.0642(6) 0.0026(5) 0.0074(6) -0.0098(6) N1 0.050(7) 0.030(6) 0.045(6) -0.007(5) 0.006(5) 0.001(5) N2 0.064(8) 0.043(7) 0.068(8) -0.010(6) 0.002(7) -0.017(6) N3 0.050(6) 0.037(6) 0.045(7) 0.000(5) -0.009(5) -0.008(5) N4 0.065(8) 0.113(11) 0.048(8) -0.019(8) 0.006(7) -0.013(9) C1 0.037(7) 0.042(7) 0.023(7) 0.001(5) -0.002(5) -0.002(6) C2 0.041(8) 0.049(8) 0.037(8) 0.004(6) 0.006(6) -0.003(6) C3 0.051(9) 0.055(8) 0.033(7) 0.004(6) 0.016(6) 0.007(7) C4 0.074(11) 0.099(12) 0.029(7) 0.000(8) 0.012(8) 0.002(10) C5 0.058(10) 0.083(13) 0.082(12) 0.005(10) -0.012(9) 0.020(9) C6 0.084(13) 0.098(14) 0.049(9) 0.000(9) -0.020(9) -0.009(11) C7 0.035(7) 0.064(9) 0.048(8) -0.004(7) 0.004(7) -0.005(7) C8 0.070(10) 0.053(9) 0.045(8) -0.005(7) 0.000(8) -0.023(8) C9 0.066(10) 0.022(7) 0.051(9) 0.006(6) 0.005(7) -0.003(6) C10 0.044(8) 0.036(7) 0.036(7) 0.009(6) 0.005(6) -0.010(6) C11 0.036(7) 0.037(7) 0.051(8) 0.010(6) 0.014(7) 0.001(6) C12 0.056(10) 0.040(9) 0.112(14) -0.023(9) 0.003(10) -0.015(8) C13 0.060(11) 0.090(14) 0.110(15) -0.002(12) -0.016(12) 0.037(10) C14 0.119(18) 0.081(14) 0.14(2) 0.058(14) -0.045(18) 0.001(13) C15 0.133(17) 0.082(12) 0.071(11) 0.053(10) 0.006(13) -0.007(13) C16 0.076(11) 0.056(9) 0.056(9) 0.014(8) 0.009(8) -0.004(8) C17 0.044(8) 0.034(7) 0.061(9) -0.006(7) -0.003(7) 0.004(6) C18 0.038(9) 0.19(2) 0.19(2) -0.14(2) 0.022(13) 0.009(11) C19 0.088(13) 0.122(16) 0.032(8) -0.010(10) 0.008(9) -0.022(13) C20 0.139(17) 0.057(10) 0.039(8) 0.003(7) -0.018(11) -0.043(11) C21 0.18(2) 0.070(11) 0.049(9) -0.031(8) 0.044(12) -0.038(13) C22 0.134(17) 0.073(12) 0.112(15) -0.028(11) 0.004(14) -0.037(12) C23 0.116(15) 0.067(11) 0.050(10) -0.031(8) 0.030(10) -0.048(11) C24 0.097(12) 0.041(9) 0.075(11) -0.001(8) 0.020(11) 0.004(9) C25 0.091(13) 0.111(16) 0.101(16) -0.003(13) -0.041(13) -0.016(13) C26 0.087(15) 0.104(18) 0.24(3) -0.08(2) -0.02(2) -0.003(14) C27 0.038(6) 0.009(6) 0.048(8) -0.002(5) 0.008(6) -0.001(5) C28 0.049(8) 0.033(7) 0.046(8) 0.007(6) 0.002(7) -0.008(6) C29 0.043(7) 0.058(9) 0.067(10) 0.002(8) 0.017(8) 0.011(6) C30 0.098(12) 0.043(8) 0.059(9) 0.022(8) 0.002(9) -0.005(8) C31 0.082(11) 0.093(14) 0.093(14) 0.078(12) 0.007(11) 0.028(10) C32 0.077(10) 0.058(9) 0.064(10) 0.028(8) 0.012(9) 0.002(9) C33 0.058(9) 0.026(8) 0.110(14) 0.021(8) 0.008(10) 0.005(7) C34 0.067(9) 0.031(7) 0.049(8) 0.000(6) 0.003(8) -0.003(7) C35 0.054(8) 0.035(7) 0.080(10) -0.005(7) 0.006(8) 0.004(7) C36 0.035(6) 0.048(8) 0.035(7) 0.000(6) 0.008(6) -0.002(6) C38 0.057(9) 0.083(11) 0.058(10) -0.001(9) -0.007(9) 0.000(9) C39 0.118(17) 0.091(13) 0.102(15) 0.039(11) -0.048(15) 0.005(13) C40 0.060(12) 0.145(19) 0.119(18) 0.017(16) -0.031(14) 0.015(12) C41 0.072(11) 0.090(12) 0.070(12) 0.026(10) -0.021(9) 0.013(10) C42 0.049(9) 0.089(12) 0.076(11) -0.005(9) -0.023(9) 0.015(8) C43 0.041(8) 0.046(8) 0.037(8) 0.002(6) -0.001(6) 0.012(6) C44 0.121(15) 0.127(16) 0.034(8) 0.040(10) 0.011(10) 0.005(12) C45 0.135(17) 0.028(9) 0.083(13) -0.021(9) 0.026(13) -0.002(10) C46 0.061(11) 0.079(14) 0.23(3) -0.046(19) 0.036(17) -0.005(11) C47 0.122(17) 0.133(18) 0.082(13) -0.063(13) 0.002(13) 0.004(15) C48 0.057(10) 0.090(12) 0.078(12) -0.020(10) 0.026(9) -0.013(9) C49 0.080(11) 0.055(9) 0.059(10) -0.005(9) 0.014(9) -0.017(8) C50 0.041(8) 0.140(17) 0.062(11) -0.031(11) -0.011(8) 0.007(9) C51 0.103(14) 0.055(11) 0.125(18) -0.013(11) 0.004(13) 0.023(10) C52 0.17(2) 0.054(11) 0.113(17) -0.033(11) -0.007(17) 0.025(14) _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 Rh1 C11 2.059(12) . ? Rh1 C19 2.106(17) . ? Rh1 C23 2.148(15) . ? Rh1 C20 2.153(13) . ? Rh1 C24 2.165(16) . ? Rh1 I1 2.6878(14) . ? Rh2 C37 1.975(14) . ? Rh2 C46 2.02(2) . ? Rh2 C45 2.152(16) . ? Rh2 C49 2.209(14) . ? Rh2 C50 2.209(15) . ? Rh2 I2 2.6688(15) . ? N1 C11 1.315(14) . ? N1 C17 1.420(16) . ? N1 C10 1.421(15) . ? N2 C11 1.328(16) . ? N2 C12 1.42(2) . ? N2 C18 1.497(19) . ? N3 C43 1.382(15) . ? N3 C36 1.433(15) . ? N3 C37 1.457(16) . ? N4 C37 1.340(18) . ? N4 C38 1.385(18) . ? N4 C44 1.484(18) . ? C1 C10 1.364(17) . ? C1 C2 1.483(16) . ? C1 C27 1.511(15) . ? C2 C7 1.362(17) . ? C2 C3 1.384(17) . ? C3 C4 1.367(19) . ? C3 H1 0.9300 . ? C4 C5 1.45(2) . ? C4 H2 0.9300 . ? C5 C6 1.32(2) . ? C5 H3 0.9300 . ? C6 C7 1.43(2) . ? C6 H4 0.9300 . ? C7 C8 1.466(19) . ? C8 C9 1.355(19) . ? C8 H5 0.9300 . ? C9 C10 1.414(17) . ? C9 H6 0.9300 . ? C12 C17 1.37(2) . ? C12 C13 1.38(2) . ? C13 C14 1.32(3) . ? C13 H7 0.9300 . ? C14 C15 1.42(3) . ? C14 H8 0.9300 . ? C15 C16 1.34(2) . ? C15 H9 0.9300 . ? C16 C17 1.342(18) . ? C16 H10 0.9300 . ? C18 H13 0.9600 . ? C18 H11 0.9600 . ? C18 H12 0.9600 . ? C19 C20 1.41(2) . ? C19 C26 1.47(3) . ? C19 H14 0.9300 . ? C20 C21 1.54(2) . ? C20 H15 0.9300 . ? C21 C22 1.42(2) . ? C21 H16 0.9700 . ? C21 H17 0.9700 . ? C22 C23 1.52(2) . ? C22 H19 0.9700 . ? C22 H18 0.9700 . ? C23 C24 1.34(2) . ? C23 H20 0.9300 . ? C24 C25 1.51(2) . ? C24 H21 0.9300 . ? C25 C26 1.57(3) . ? C25 H22 0.9700 . ? C25 H23 0.9700 . ? C26 H25 0.9700 . ? C26 H24 0.9700 . ? C27 C36 1.331(16) . ? C27 C28 1.462(16) . ? C28 C29 1.374(18) . ? C28 C33 1.433(18) . ? C29 C30 1.326(18) . ? C29 H26 0.9300 . ? C30 C31 1.39(2) . ? C30 H27 0.9300 . ? C31 C32 1.34(2) . ? C31 H28 0.9300 . ? C32 C33 1.490(19) . ? C32 H29 0.9300 . ? C33 C34 1.358(19) . ? C34 C35 1.347(17) . ? C34 H30 0.9300 . ? C35 C36 1.399(17) . ? C35 H31 0.9300 . ? C38 C39 1.36(2) . ? C38 C43 1.434(19) . ? C39 C40 1.41(3) . ? C39 H32 0.9300 . ? C40 C41 1.33(2) . ? C40 H33 0.9300 . ? C41 C42 1.38(2) . ? C41 H34 0.9300 . ? C42 C43 1.355(18) . ? C42 H35 0.9300 . ? C44 H37 0.9600 . ? C44 H36 0.9600 . ? C44 H38 0.9600 . ? C45 C46 1.28(3) . ? C45 C52 1.45(3) . ? C45 H39 0.9300 . ? C46 C47 1.64(3) . ? C46 H40 0.9300 . ? C47 C48 1.45(2) . ? C47 H41 0.9700 . ? C47 H42 0.9700 . ? C48 C49 1.52(2) . ? C48 H44 0.9700 . ? C48 H43 0.9700 . ? C49 C50 1.29(2) . ? C49 H45 0.9300 . ? C50 C51 1.53(2) . ? C50 H46 0.9300 . ? C51 C52 1.46(2) . ? C51 H47 0.9700 . ? C51 H48 0.9700 . ? C52 H49 0.9700 . ? C52 H50 0.9700 . ? 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 C11 Rh1 C19 89.9(6) . . ? C11 Rh1 C23 155.3(6) . . ? C19 Rh1 C23 95.4(6) . . ? C11 Rh1 C20 89.2(5) . . ? C19 Rh1 C20 38.6(7) . . ? C23 Rh1 C20 80.3(5) . . ? C11 Rh1 C24 167.2(6) . . ? C19 Rh1 C24 81.2(7) . . ? C23 Rh1 C24 36.2(6) . . ? C20 Rh1 C24 89.6(6) . . ? C11 Rh1 I1 90.1(4) . . ? C19 Rh1 I1 165.2(6) . . ? C23 Rh1 I1 90.7(4) . . ? C20 Rh1 I1 156.2(6) . . ? C24 Rh1 I1 96.1(4) . . ? C37 Rh2 C46 90.4(6) . . ? C37 Rh2 C45 90.6(7) . . ? C46 Rh2 C45 35.6(8) . . ? C37 Rh2 C49 157.4(6) . . ? C46 Rh2 C49 81.0(7) . . ? C45 Rh2 C49 94.2(7) . . ? C37 Rh2 C50 167.5(7) . . ? C46 Rh2 C50 87.9(7) . . ? C45 Rh2 C50 80.8(8) . . ? C49 Rh2 C50 33.9(5) . . ? C37 Rh2 I2 91.3(4) . . ? C46 Rh2 I2 158.7(9) . . ? C45 Rh2 I2 165.5(5) . . ? C49 Rh2 I2 89.4(4) . . ? C50 Rh2 I2 94.8(5) . . ? C11 N1 C17 110.3(10) . . ? C11 N1 C10 128.2(11) . . ? C17 N1 C10 119.2(10) . . ? C11 N2 C12 109.7(12) . . ? C11 N2 C18 124.2(14) . . ? C12 N2 C18 126.0(15) . . ? C43 N3 C36 118.7(10) . . ? C43 N3 C37 112.6(10) . . ? C36 N3 C37 125.3(11) . . ? C37 N4 C38 117.7(13) . . ? C37 N4 C44 124.6(13) . . ? C38 N4 C44 117.5(15) . . ? C10 C1 C2 118.8(11) . . ? C10 C1 C27 124.4(10) . . ? C2 C1 C27 116.5(10) . . ? C7 C2 C3 119.0(11) . . ? C7 C2 C1 119.0(12) . . ? C3 C2 C1 122.0(11) . . ? C4 C3 C2 122.5(14) . . ? C4 C3 H1 118.8 . . ? C2 C3 H1 118.8 . . ? C3 C4 C5 117.6(15) . . ? C3 C4 H2 121.2 . . ? C5 C4 H2 121.2 . . ? C6 C5 C4 120.5(15) . . ? C6 C5 H3 119.7 . . ? C4 C5 H3 119.7 . . ? C5 C6 C7 120.0(16) . . ? C5 C6 H4 120.0 . . ? C7 C6 H4 120.0 . . ? C2 C7 C6 120.4(14) . . ? C2 C7 C8 121.0(12) . . ? C6 C7 C8 118.7(14) . . ? C9 C8 C7 117.9(12) . . ? C9 C8 H5 121.0 . . ? C7 C8 H5 121.0 . . ? C8 C9 C10 122.4(13) . . ? C8 C9 H6 118.8 . . ? C10 C9 H6 118.8 . . ? C1 C10 C9 120.5(12) . . ? C1 C10 N1 124.2(11) . . ? C9 C10 N1 115.1(11) . . ? N1 C11 N2 108.3(11) . . ? N1 C11 Rh1 132.8(10) . . ? N2 C11 Rh1 118.9(9) . . ? C17 C12 C13 120.4(17) . . ? C17 C12 N2 105.9(15) . . ? C13 C12 N2 133.7(16) . . ? C14 C13 C12 118.6(18) . . ? C14 C13 H7 120.7 . . ? C12 C13 H7 120.7 . . ? C13 C14 C15 121.2(18) . . ? C13 C14 H8 119.4 . . ? C15 C14 H8 119.4 . . ? C16 C15 C14 118.2(16) . . ? C16 C15 H9 120.9 . . ? C14 C15 H9 120.9 . . ? C17 C16 C15 120.9(15) . . ? C17 C16 H10 119.6 . . ? C15 C16 H10 119.6 . . ? C16 C17 C12 120.2(15) . . ? C16 C17 N1 134.3(13) . . ? C12 C17 N1 105.5(13) . . ? N2 C18 H13 109.5 . . ? N2 C18 H11 109.5 . . ? H13 C18 H11 109.5 . . ? N2 C18 H12 109.5 . . ? H13 C18 H12 109.5 . . ? H11 C18 H12 109.5 . . ? C20 C19 C26 120.5(16) . . ? C20 C19 Rh1 72.5(9) . . ? C26 C19 Rh1 111.6(14) . . ? C20 C19 H14 119.7 . . ? C26 C19 H14 119.8 . . ? Rh1 C19 H14 86.1 . . ? C19 C20 C21 126.9(17) . . ? C19 C20 Rh1 68.9(9) . . ? C21 C20 Rh1 111.8(10) . . ? C19 C20 H15 116.5 . . ? C21 C20 H15 116.5 . . ? Rh1 C20 H15 89.3 . . ? C22 C21 C20 114.4(13) . . ? C22 C21 H16 108.7 . . ? C20 C21 H16 108.7 . . ? C22 C21 H17 108.7 . . ? C20 C21 H17 108.7 . . ? H16 C21 H17 107.6 . . ? C21 C22 C23 115.1(16) . . ? C21 C22 H19 108.5 . . ? C23 C22 H19 108.5 . . ? C21 C22 H18 108.5 . . ? C23 C22 H18 108.5 . . ? H19 C22 H18 107.5 . . ? C24 C23 C22 129.1(17) . . ? C24 C23 Rh1 72.6(9) . . ? C22 C23 Rh1 109.5(11) . . ? C24 C23 H20 115.5 . . ? C22 C23 H20 115.5 . . ? Rh1 C23 H20 87.7 . . ? C23 C24 C25 120.7(15) . . ? C23 C24 Rh1 71.2(10) . . ? C25 C24 Rh1 115.8(11) . . ? C23 C24 H21 119.7 . . ? C25 C24 H21 119.7 . . ? Rh1 C24 H21 83.4 . . ? C24 C25 C26 108.0(16) . . ? C24 C25 H22 110.1 . . ? C26 C25 H22 110.1 . . ? C24 C25 H23 110.1 . . ? C26 C25 H23 110.1 . . ? H22 C25 H23 108.4 . . ? C19 C26 C25 117.8(17) . . ? C19 C26 H25 107.9 . . ? C25 C26 H25 107.9 . . ? C19 C26 H24 107.9 . . ? C25 C26 H24 107.9 . . ? H25 C26 H24 107.2 . . ? C36 C27 C28 119.6(10) . . ? C36 C27 C1 124.4(10) . . ? C28 C27 C1 116.0(10) . . ? C29 C28 C33 118.6(12) . . ? C29 C28 C27 127.8(11) . . ? C33 C28 C27 113.4(12) . . ? C30 C29 C28 125.1(14) . . ? C30 C29 H26 117.5 . . ? C28 C29 H26 117.5 . . ? C29 C30 C31 118.2(15) . . ? C29 C30 H27 120.9 . . ? C31 C30 H27 120.9 . . ? C32 C31 C30 122.8(14) . . ? C32 C31 H28 118.6 . . ? C30 C31 H28 118.6 . . ? C31 C32 C33 119.6(16) . . ? C31 C32 H29 120.2 . . ? C33 C32 H29 120.2 . . ? C34 C33 C28 125.7(13) . . ? C34 C33 C32 118.6(13) . . ? C28 C33 C32 115.7(15) . . ? C35 C34 C33 116.9(13) . . ? C35 C34 H30 121.5 . . ? C33 C34 H30 121.5 . . ? C34 C35 C36 121.5(13) . . ? C34 C35 H31 119.2 . . ? C36 C35 H31 119.2 . . ? C27 C36 C35 122.5(12) . . ? C27 C36 N3 123.2(11) . . ? C35 C36 N3 114.1(11) . . ? N4 C37 N3 99.6(11) . . ? N4 C37 Rh2 128.6(11) . . ? N3 C37 Rh2 131.8(10) . . ? C39 C38 N4 137.1(17) . . ? C39 C38 C43 119.0(16) . . ? N4 C38 C43 103.9(13) . . ? C38 C39 C40 119.0(17) . . ? C38 C39 H32 120.5 . . ? C40 C39 H32 120.5 . . ? C41 C40 C39 120.6(18) . . ? C41 C40 H33 119.7 . . ? C39 C40 H33 119.7 . . ? C40 C41 C42 122.0(18) . . ? C40 C41 H34 119.0 . . ? C42 C41 H34 119.0 . . ? C43 C42 C41 118.8(15) . . ? C43 C42 H35 120.6 . . ? C41 C42 H35 120.6 . . ? C42 C43 N3 134.2(12) . . ? C42 C43 C38 120.3(13) . . ? N3 C43 C38 105.5(11) . . ? N4 C44 H37 109.5 . . ? N4 C44 H36 109.5 . . ? H37 C44 H36 109.5 . . ? N4 C44 H38 109.5 . . ? H37 C44 H38 109.5 . . ? H36 C44 H38 109.5 . . ? C46 C45 C52 124(2) . . ? C46 C45 Rh2 66.5(12) . . ? C52 C45 Rh2 109.3(14) . . ? C46 C45 H39 118.2 . . ? C52 C45 H39 118.2 . . ? Rh2 C45 H39 94.2 . . ? C45 C46 C47 125(2) . . ? C45 C46 Rh2 78.0(15) . . ? C47 C46 Rh2 114.1(12) . . ? C45 C46 H40 117.7 . . ? C47 C46 H40 117.6 . . ? Rh2 C46 H40 77.6 . . ? C48 C47 C46 113.0(14) . . ? C48 C47 H41 109.0 . . ? C46 C47 H41 109.0 . . ? C48 C47 H42 109.0 . . ? C46 C47 H42 109.0 . . ? H41 C47 H42 107.8 . . ? C47 C48 C49 112.7(13) . . ? C47 C48 H44 109.0 . . ? C49 C48 H44 109.1 . . ? C47 C48 H43 109.1 . . ? C49 C48 H43 109.0 . . ? H44 C48 H43 107.8 . . ? C50 C49 C48 127.9(15) . . ? C50 C49 Rh2 73.1(9) . . ? C48 C49 Rh2 109.7(10) . . ? C50 C49 H45 116.0 . . ? C48 C49 H45 116.0 . . ? Rh2 C49 H45 87.0 . . ? C49 C50 C51 121.7(17) . . ? C49 C50 Rh2 73.1(10) . . ? C51 C50 Rh2 110.4(11) . . ? C49 C50 H46 119.2 . . ? C51 C50 H46 119.2 . . ? Rh2 C50 H46 86.6 . . ? C52 C51 C50 112.8(15) . . ? C52 C51 H47 109.0 . . ? C50 C51 H47 109.0 . . ? C52 C51 H48 109.0 . . ? C50 C51 H48 109.0 . . ? H47 C51 H48 107.8 . . ? C45 C52 C51 118.6(19) . . ? C45 C52 H49 107.7 . . ? C51 C52 H49 107.7 . . ? C45 C52 H50 107.7 . . ? C51 C52 H50 107.7 . . ? H49 C52 H50 107.1 . . ? 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 C10 C1 C2 C7 -2.0(19) . . . . ? C27 C1 C2 C7 -176.5(11) . . . . ? C10 C1 C2 C3 179.1(11) . . . . ? C27 C1 C2 C3 4.6(17) . . . . ? C7 C2 C3 C4 2.5(19) . . . . ? C1 C2 C3 C4 -178.6(11) . . . . ? C2 C3 C4 C5 -2.4(19) . . . . ? C3 C4 C5 C6 2(2) . . . . ? C4 C5 C6 C7 -2(2) . . . . ? C3 C2 C7 C6 -2(2) . . . . ? C1 C2 C7 C6 179.0(12) . . . . ? C3 C2 C7 C8 176.5(12) . . . . ? C1 C2 C7 C8 -2.5(19) . . . . ? C5 C6 C7 C2 2(2) . . . . ? C5 C6 C7 C8 -176.8(14) . . . . ? C2 C7 C8 C9 3(2) . . . . ? C6 C7 C8 C9 -178.5(13) . . . . ? C7 C8 C9 C10 1(2) . . . . ? C2 C1 C10 C9 5.9(18) . . . . ? C27 C1 C10 C9 -180.0(11) . . . . ? C2 C1 C10 N1 -179.7(11) . . . . ? C27 C1 C10 N1 -5.6(19) . . . . ? C8 C9 C10 C1 -6(2) . . . . ? C8 C9 C10 N1 179.5(12) . . . . ? C11 N1 C10 C1 83.6(17) . . . . ? C17 N1 C10 C1 -115.4(13) . . . . ? C11 N1 C10 C9 -101.7(14) . . . . ? C17 N1 C10 C9 59.2(15) . . . . ? C17 N1 C11 N2 5.9(14) . . . . ? C10 N1 C11 N2 168.2(11) . . . . ? C17 N1 C11 Rh1 -173.9(10) . . . . ? C10 N1 C11 Rh1 -12(2) . . . . ? C12 N2 C11 N1 -5.2(14) . . . . ? C18 N2 C11 N1 178.7(12) . . . . ? C12 N2 C11 Rh1 174.6(8) . . . . ? C18 N2 C11 Rh1 -1.5(17) . . . . ? C19 Rh1 C11 N1 59.5(13) . . . . ? C23 Rh1 C11 N1 162.4(12) . . . . ? C20 Rh1 C11 N1 98.1(13) . . . . ? C24 Rh1 C11 N1 13(3) . . . . ? I1 Rh1 C11 N1 -105.7(12) . . . . ? C19 Rh1 C11 N2 -120.3(11) . . . . ? C23 Rh1 C11 N2 -17.4(19) . . . . ? C20 Rh1 C11 N2 -81.7(12) . . . . ? C24 Rh1 C11 N2 -166(2) . . . . ? I1 Rh1 C11 N2 74.5(10) . . . . ? C11 N2 C12 C17 2.5(15) . . . . ? C18 N2 C12 C17 178.6(12) . . . . ? C11 N2 C12 C13 -177.0(17) . . . . ? C18 N2 C12 C13 -1(2) . . . . ? C17 C12 C13 C14 0(3) . . . . ? N2 C12 C13 C14 179.7(17) . . . . ? C12 C13 C14 C15 -5(3) . . . . ? C13 C14 C15 C16 9(3) . . . . ? C14 C15 C16 C17 -8(3) . . . . ? C15 C16 C17 C12 3(2) . . . . ? C15 C16 C17 N1 -176.4(15) . . . . ? C13 C12 C17 C16 1(2) . . . . ? N2 C12 C17 C16 -178.5(12) . . . . ? C13 C12 C17 N1 -179.4(13) . . . . ? N2 C12 C17 N1 0.9(13) . . . . ? C11 N1 C17 C16 175.1(15) . . . . ? C10 N1 C17 C16 11(2) . . . . ? C11 N1 C17 C12 -4.2(14) . . . . ? C10 N1 C17 C12 -168.4(11) . . . . ? C11 Rh1 C19 C20 88.9(9) . . . . ? C23 Rh1 C19 C20 -67.0(11) . . . . ? C24 Rh1 C19 C20 -100.4(10) . . . . ? I1 Rh1 C19 C20 179.0(13) . . . . ? C11 Rh1 C19 C26 -154.5(16) . . . . ? C23 Rh1 C19 C26 49.6(16) . . . . ? C20 Rh1 C19 C26 116.6(18) . . . . ? C24 Rh1 C19 C26 16.2(15) . . . . ? I1 Rh1 C19 C26 -64(2) . . . . ? C26 C19 C20 C21 -3(3) . . . . ? Rh1 C19 C20 C21 102.0(15) . . . . ? C26 C19 C20 Rh1 -105.2(17) . . . . ? C11 Rh1 C20 C19 -90.8(10) . . . . ? C23 Rh1 C20 C19 111.6(11) . . . . ? C24 Rh1 C20 C19 76.4(10) . . . . ? I1 Rh1 C20 C19 -179.4(8) . . . . ? C11 Rh1 C20 C21 146.5(15) . . . . ? C19 Rh1 C20 C21 -122.6(19) . . . . ? C23 Rh1 C20 C21 -11.0(15) . . . . ? C24 Rh1 C20 C21 -46.2(15) . . . . ? I1 Rh1 C20 C21 58.0(19) . . . . ? C19 C20 C21 C22 -84(3) . . . . ? Rh1 C20 C21 C22 -4(2) . . . . ? C20 C21 C22 C23 25(3) . . . . ? C21 C22 C23 C24 49(3) . . . . ? C21 C22 C23 Rh1 -34(2) . . . . ? C11 Rh1 C23 C24 -168.9(12) . . . . ? C19 Rh1 C23 C24 -67.2(11) . . . . ? C20 Rh1 C23 C24 -102.8(10) . . . . ? I1 Rh1 C23 C24 99.3(9) . . . . ? C11 Rh1 C23 C22 -43(2) . . . . ? C19 Rh1 C23 C22 58.9(15) . . . . ? C20 Rh1 C23 C22 23.3(14) . . . . ? C24 Rh1 C23 C22 126.1(18) . . . . ? I1 Rh1 C23 C22 -134.5(14) . . . . ? C22 C23 C24 C25 8(3) . . . . ? Rh1 C23 C24 C25 109.5(16) . . . . ? C22 C23 C24 Rh1 -101.3(18) . . . . ? C11 Rh1 C24 C23 159(2) . . . . ? C19 Rh1 C24 C23 111.8(10) . . . . ? C20 Rh1 C24 C23 74.0(10) . . . . ? I1 Rh1 C24 C23 -82.9(9) . . . . ? C11 Rh1 C24 C25 43(3) . . . . ? C19 Rh1 C24 C25 -3.9(14) . . . . ? C23 Rh1 C24 C25 -115.7(16) . . . . ? C20 Rh1 C24 C25 -41.8(14) . . . . ? I1 Rh1 C24 C25 161.4(13) . . . . ? C23 C24 C25 C26 -91(2) . . . . ? Rh1 C24 C25 C26 -8(2) . . . . ? C20 C19 C26 C25 55(3) . . . . ? Rh1 C19 C26 C25 -27(2) . . . . ? C24 C25 C26 C19 23(3) . . . . ? C10 C1 C27 C36 74.6(16) . . . . ? C2 C1 C27 C36 -111.2(13) . . . . ? C10 C1 C27 C28 -107.4(13) . . . . ? C2 C1 C27 C28 66.8(14) . . . . ? C36 C27 C28 C29 179.9(12) . . . . ? C1 C27 C28 C29 1.8(18) . . . . ? C36 C27 C28 C33 4.7(16) . . . . ? C1 C27 C28 C33 -173.4(10) . . . . ? C33 C28 C29 C30 -3(2) . . . . ? C27 C28 C29 C30 -178.2(13) . . . . ? C28 C29 C30 C31 3(2) . . . . ? C29 C30 C31 C32 0(2) . . . . ? C30 C31 C32 C33 -2(3) . . . . ? C29 C28 C33 C34 178.2(14) . . . . ? C27 C28 C33 C34 -6(2) . . . . ? C29 C28 C33 C32 1.3(19) . . . . ? C27 C28 C33 C32 177.0(11) . . . . ? C31 C32 C33 C34 -176.2(15) . . . . ? C31 C32 C33 C28 1(2) . . . . ? C28 C33 C34 C35 2(2) . . . . ? C32 C33 C34 C35 178.6(13) . . . . ? C33 C34 C35 C36 4(2) . . . . ? C28 C27 C36 C35 0.5(18) . . . . ? C1 C27 C36 C35 178.4(11) . . . . ? C28 C27 C36 N3 174.8(10) . . . . ? C1 C27 C36 N3 -7.3(18) . . . . ? C34 C35 C36 C27 -5(2) . . . . ? C34 C35 C36 N3 179.9(12) . . . . ? C43 N3 C36 C27 -116.6(13) . . . . ? C37 N3 C36 C27 85.8(15) . . . . ? C43 N3 C36 C35 58.2(15) . . . . ? C37 N3 C36 C35 -99.5(14) . . . . ? C38 N4 C37 N3 -7.2(17) . . . . ? C44 N4 C37 N3 177.9(13) . . . . ? C38 N4 C37 Rh2 172.0(11) . . . . ? C44 N4 C37 Rh2 -3(2) . . . . ? C43 N3 C37 N4 7.9(14) . . . . ? C36 N3 C37 N4 166.7(11) . . . . ? C43 N3 C37 Rh2 -171.2(10) . . . . ? C36 N3 C37 Rh2 -12.4(18) . . . . ? C46 Rh2 C37 N4 -85.2(16) . . . . ? C45 Rh2 C37 N4 -120.7(14) . . . . ? C49 Rh2 C37 N4 -18(2) . . . . ? C50 Rh2 C37 N4 -167(2) . . . . ? I2 Rh2 C37 N4 73.7(13) . . . . ? C46 Rh2 C37 N3 93.7(14) . . . . ? C45 Rh2 C37 N3 58.2(13) . . . . ? C49 Rh2 C37 N3 160.8(12) . . . . ? C50 Rh2 C37 N3 12(4) . . . . ? I2 Rh2 C37 N3 -107.4(12) . . . . ? C37 N4 C38 C39 -174.8(19) . . . . ? C44 N4 C38 C39 0(3) . . . . ? C37 N4 C38 C43 4.0(18) . . . . ? C44 N4 C38 C43 179.3(13) . . . . ? N4 C38 C39 C40 177(2) . . . . ? C43 C38 C39 C40 -2(3) . . . . ? C38 C39 C40 C41 5(3) . . . . ? C39 C40 C41 C42 -6(3) . . . . ? C40 C41 C42 C43 5(3) . . . . ? C41 C42 C43 N3 178.0(15) . . . . ? C41 C42 C43 C38 -2(2) . . . . ? C36 N3 C43 C42 14(2) . . . . ? C37 N3 C43 C42 174.0(15) . . . . ? C36 N3 C43 C38 -166.4(11) . . . . ? C37 N3 C43 C38 -6.1(14) . . . . ? C39 C38 C43 C42 1(2) . . . . ? N4 C38 C43 C42 -178.6(14) . . . . ? C39 C38 C43 N3 -179.4(15) . . . . ? N4 C38 C43 N3 1.5(15) . . . . ? C37 Rh2 C45 C46 89.8(14) . . . . ? C49 Rh2 C45 C46 -68.1(14) . . . . ? C50 Rh2 C45 C46 -99.3(14) . . . . ? I2 Rh2 C45 C46 -172.4(14) . . . . ? C37 Rh2 C45 C52 -151.1(14) . . . . ? C46 Rh2 C45 C52 119(2) . . . . ? C49 Rh2 C45 C52 51.0(15) . . . . ? C50 Rh2 C45 C52 19.8(14) . . . . ? I2 Rh2 C45 C52 -53(3) . . . . ? C52 C45 C46 C47 13(3) . . . . ? Rh2 C45 C46 C47 111.1(19) . . . . ? C52 C45 C46 Rh2 -98.2(18) . . . . ? C37 Rh2 C46 C45 -90.5(14) . . . . ? C49 Rh2 C46 C45 110.4(15) . . . . ? C50 Rh2 C46 C45 77.1(15) . . . . ? I2 Rh2 C46 C45 174.7(10) . . . . ? C37 Rh2 C46 C47 146.6(18) . . . . ? C45 Rh2 C46 C47 -123(3) . . . . ? C49 Rh2 C46 C47 -12.4(17) . . . . ? C50 Rh2 C46 C47 -45.7(18) . . . . ? I2 Rh2 C46 C47 52(3) . . . . ? C45 C46 C47 C48 -95(3) . . . . ? Rh2 C46 C47 C48 -3(3) . . . . ? C46 C47 C48 C49 25(2) . . . . ? C47 C48 C49 C50 49(2) . . . . ? C47 C48 C49 Rh2 -34.0(18) . . . . ? C37 Rh2 C49 C50 -168.5(14) . . . . ? C46 Rh2 C49 C50 -99.6(13) . . . . ? C45 Rh2 C49 C50 -66.5(12) . . . . ? I2 Rh2 C49 C50 99.4(10) . . . . ? C37 Rh2 C49 C48 -43(2) . . . . ? C46 Rh2 C49 C48 25.4(13) . . . . ? C45 Rh2 C49 C48 58.5(12) . . . . ? C50 Rh2 C49 C48 125.0(16) . . . . ? I2 Rh2 C49 C48 -135.5(11) . . . . ? C48 C49 C50 C51 2(3) . . . . ? Rh2 C49 C50 C51 103.9(15) . . . . ? C48 C49 C50 Rh2 -102.1(16) . . . . ? C37 Rh2 C50 C49 159(2) . . . . ? C46 Rh2 C50 C49 77.0(13) . . . . ? C45 Rh2 C50 C49 112.1(11) . . . . ? I2 Rh2 C50 C49 -81.8(10) . . . . ? C37 Rh2 C50 C51 41(3) . . . . ? C46 Rh2 C50 C51 -41.2(15) . . . . ? C45 Rh2 C50 C51 -6.1(14) . . . . ? C49 Rh2 C50 C51 -118.2(17) . . . . ? I2 Rh2 C50 C51 160.0(13) . . . . ? C49 C50 C51 C52 -91(2) . . . . ? Rh2 C50 C51 C52 -9(2) . . . . ? C46 C45 C52 C51 41(3) . . . . ? Rh2 C45 C52 C51 -33(2) . . . . ? C50 C51 C52 C45 28(3) . . . . ? _diffrn_measured_fraction_theta_max 0.998 _diffrn_reflns_theta_full 25.50 _diffrn_measured_fraction_theta_full 0.998 _refine_diff_density_max 0.975 _refine_diff_density_min -0.652 _refine_diff_density_rms 0.136