data_rovis53_0m _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C43 H50 Cl5 N O4 P Rh' _chemical_formula_weight 955.97 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' 'P' 'P' 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Cl' 'Cl' 0.1484 0.1585 '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 Monoclinic _symmetry_space_group_name_H-M P2(1) loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y+1/2, -z' _cell_length_a 10.8877(3) _cell_length_b 18.0279(5) _cell_length_c 11.1484(3) _cell_angle_alpha 90.00 _cell_angle_beta 91.9240(10) _cell_angle_gamma 90.00 _cell_volume 2187.00(10) _cell_formula_units_Z 2 _cell_measurement_temperature 120 _cell_measurement_reflns_used 9955 _cell_measurement_theta_min 2.57 _cell_measurement_theta_max 38.88 _exptl_crystal_description cubic _exptl_crystal_colour yellow _exptl_crystal_size_max 0.39 _exptl_crystal_size_mid 0.13 _exptl_crystal_size_min 0.11 _exptl_crystal_density_meas 'not determined' _exptl_crystal_density_diffrn 1.452 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 984 _exptl_absorpt_coefficient_mu 0.774 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.7512 _exptl_absorpt_correction_T_max 0.9197 _exptl_absorpt_process_details 'Sheldrick, G. M. (2008) SADABS. University of G\"ottingen, Germany.' _exptl_special_details ; ? ; _diffrn_ambient_temperature 120 _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 54541 _diffrn_reflns_av_R_equivalents 0.0421 _diffrn_reflns_av_sigmaI/netI 0.0830 _diffrn_reflns_limit_h_min -19 _diffrn_reflns_limit_h_max 19 _diffrn_reflns_limit_k_min -26 _diffrn_reflns_limit_k_max 32 _diffrn_reflns_limit_l_min -19 _diffrn_reflns_limit_l_max 20 _diffrn_reflns_theta_min 1.83 _diffrn_reflns_theta_max 40.55 _reflns_number_total 23417 _reflns_number_gt 17732 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'APEX2 (Bruker, 2009)' _computing_cell_refinement 'APEX2 (Bruker, 2009)' _computing_data_reduction 'APEX2 (Bruker, 2009)' _computing_structure_solution 'XS (Sheldrick, 2008)' _computing_structure_refinement 'XL (Sheldrick, 2008)' _computing_molecular_graphics 'APEX2 (Bruker, 2009)' _computing_publication_material 'APEX2 (Bruker, 2009)' _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^)+(0.0595P)^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 constr _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881' _refine_ls_abs_structure_Flack -0.018(16) _chemical_absolute_configuration syn _refine_ls_number_reflns 23417 _refine_ls_number_parameters 500 _refine_ls_number_restraints 1 _refine_ls_R_factor_all 0.0786 _refine_ls_R_factor_gt 0.0511 _refine_ls_wR_factor_ref 0.1195 _refine_ls_wR_factor_gt 0.1067 _refine_ls_goodness_of_fit_ref 1.005 _refine_ls_restrained_S_all 1.005 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group C1 C 0.3074(3) 0.62067(19) 0.7166(3) 0.0294(6) Uani 1 1 d . . . H1A H 0.2838 0.6499 0.6465 0.035 Uiso 1 1 calc R . . H1B H 0.2339 0.6103 0.7605 0.035 Uiso 1 1 calc R . . C2 C 0.1226(2) 0.54934(13) 0.0507(2) 0.0139(4) Uani 1 1 d . . . C3 C 0.2484(2) 0.54604(15) 0.0292(2) 0.0181(4) Uani 1 1 d . . . H3 H 0.2917 0.5897 0.0169 0.022 Uiso 1 1 calc R . . C4 C 0.3092(2) 0.47865(16) 0.0259(3) 0.0230(5) Uani 1 1 d . . . H4 H 0.3931 0.4772 0.0129 0.028 Uiso 1 1 calc R . . C5 C 0.2441(3) 0.41302(16) 0.0424(3) 0.0260(6) Uani 1 1 d . . . H5 H 0.2845 0.3676 0.0402 0.031 Uiso 1 1 calc R . . C6 C 0.1199(3) 0.41545(15) 0.0620(3) 0.0237(5) Uani 1 1 d . . . H6 H 0.0767 0.3716 0.0730 0.028 Uiso 1 1 calc R . . C7 C 0.0585(2) 0.48339(14) 0.0653(2) 0.0186(4) Uani 1 1 d . . . H7 H -0.0256 0.4845 0.0774 0.022 Uiso 1 1 calc R . . C8 C 0.05898(18) 0.62448(12) 0.05120(19) 0.0115(3) Uani 1 1 d . . . C9 C 0.0402(2) 0.65276(13) -0.07749(19) 0.0138(4) Uani 1 1 d . . . C10 C 0.0727(2) 0.72359(14) -0.1124(2) 0.0182(4) Uani 1 1 d . . . H10 H 0.1123 0.7550 -0.0575 0.022 Uiso 1 1 calc R . . C11 C 0.0464(3) 0.74850(17) -0.2298(2) 0.0257(5) Uani 1 1 d . . . H11 H 0.0691 0.7960 -0.2527 0.031 Uiso 1 1 calc R . . C12 C -0.0134(3) 0.70174(19) -0.3111(2) 0.0280(6) Uani 1 1 d . . . H12 H -0.0330 0.7185 -0.3883 0.034 Uiso 1 1 calc R . . C13 C -0.0445(2) 0.63017(16) -0.2783(2) 0.0219(5) Uani 1 1 d . . . H13 H -0.0841 0.5989 -0.3335 0.026 Uiso 1 1 calc R . . C14 C -0.0162(2) 0.60528(15) -0.1626(2) 0.0179(4) Uani 1 1 d . . . H14 H -0.0349 0.5568 -0.1414 0.021 Uiso 1 1 calc R . . C15 C -0.06451(19) 0.62352(13) 0.11781(19) 0.0129(4) Uani 1 1 d . . . H15 H -0.0556 0.5913 0.1884 0.015 Uiso 1 1 calc R . . C16 C -0.1006(2) 0.70122(13) 0.1583(2) 0.0139(4) Uani 1 1 d . . . H16 H -0.0625 0.7384 0.1073 0.017 Uiso 1 1 calc R . . C17 C -0.2642(2) 0.65271(15) 0.0462(2) 0.0172(4) Uani 1 1 d . . . C18 C -0.3816(2) 0.61436(18) 0.0798(3) 0.0269(6) Uani 1 1 d . . . H18A H -0.3702 0.5917 0.1573 0.040 Uiso 1 1 calc R . . H18B H -0.4021 0.5769 0.0213 0.040 Uiso 1 1 calc R . . H18C H -0.4469 0.6500 0.0822 0.040 Uiso 1 1 calc R . . C19 C -0.2745(2) 0.69240(17) -0.0739(2) 0.0217(5) Uani 1 1 d . . . H19A H -0.3383 0.7290 -0.0717 0.033 Uiso 1 1 calc R . . H19B H -0.2938 0.6571 -0.1362 0.033 Uiso 1 1 calc R . . H19C H -0.1978 0.7161 -0.0897 0.033 Uiso 1 1 calc R . . C20 C -0.2564(2) 0.7261(2) 0.4162(3) 0.0295(6) Uani 1 1 d . . . H20 H -0.2599 0.7763 0.3976 0.035 Uiso 1 1 calc R . . C21 C -0.3472(3) 0.6945(2) 0.4864(3) 0.0378(8) Uani 1 1 d . . . H21 H -0.4100 0.7240 0.5148 0.045 Uiso 1 1 calc R . . C22 C -0.3436(2) 0.6196(2) 0.5135(3) 0.0337(8) Uani 1 1 d . . . H22 H -0.4052 0.5985 0.5580 0.040 Uiso 1 1 calc R . . C23 C -0.2489(3) 0.57668(18) 0.4745(3) 0.0273(6) Uani 1 1 d . . . H23 H -0.2456 0.5265 0.4937 0.033 Uiso 1 1 calc R . . C24 C -0.1567(2) 0.60837(16) 0.4054(2) 0.0216(5) Uani 1 1 d . . . H24 H -0.0921 0.5791 0.3803 0.026 Uiso 1 1 calc R . . C25 C -0.1614(2) 0.68314(15) 0.3743(2) 0.0161(4) Uani 1 1 d . . . C26 C -0.06538(19) 0.71695(13) 0.2923(2) 0.0131(4) Uani 1 1 d . . . C27 C -0.1118(2) 0.85236(15) 0.2479(2) 0.0198(5) Uani 1 1 d . . . H27 H -0.1566 0.8375 0.1796 0.024 Uiso 1 1 calc R . . C28 C -0.0497(2) 0.79959(15) 0.3178(2) 0.0164(5) Uani 1 1 d . . . C29 C 0.0192(2) 0.82273(15) 0.4184(2) 0.0198(4) Uani 1 1 d . . . H29 H 0.0625 0.7880 0.4648 0.024 Uiso 1 1 calc R . . C30 C 0.0242(3) 0.89734(17) 0.4504(3) 0.0272(6) Uani 1 1 d . . . H30 H 0.0709 0.9123 0.5174 0.033 Uiso 1 1 calc R . . C31 C -0.0413(3) 0.94950(17) 0.3817(3) 0.0302(6) Uani 1 1 d . . . H31 H -0.0405 0.9991 0.4045 0.036 Uiso 1 1 calc R . . C32 C -0.1077(3) 0.92750(16) 0.2789(3) 0.0257(5) Uani 1 1 d . . . H32 H -0.1491 0.9625 0.2314 0.031 Uiso 1 1 calc R . . C33 C 0.1872(2) 0.54215(15) 0.3435(3) 0.0227(5) Uani 1 1 d . . . H33A H 0.2179 0.5012 0.2983 0.034 Uiso 1 1 calc R . . H33B H 0.0999 0.5459 0.3304 0.034 Uiso 1 1 calc R . . H33C H 0.2057 0.5343 0.4274 0.034 Uiso 1 1 calc R . . C34 C 0.3801(2) 0.60660(16) 0.3106(3) 0.0221(5) Uani 1 1 d . . . H34A H 0.4079 0.5957 0.3914 0.033 Uiso 1 1 calc R . . H34B H 0.4136 0.6533 0.2863 0.033 Uiso 1 1 calc R . . H34C H 0.4069 0.5682 0.2580 0.033 Uiso 1 1 calc R . . C35 C 0.3710(2) 0.90416(14) 0.3233(2) 0.0185(4) Uani 1 1 d . . . H35 H 0.3630 0.9214 0.4061 0.022 Uiso 1 1 calc R . . C36 C 0.4657(2) 0.85504(15) 0.3073(2) 0.0198(5) Uani 1 1 d . . . H36 H 0.5138 0.8438 0.3809 0.024 Uiso 1 1 calc R . . C37 C 0.5357(2) 0.84456(16) 0.1933(3) 0.0231(5) Uani 1 1 d . . . H37A H 0.5828 0.7990 0.1996 0.028 Uiso 1 1 calc R . . H37B H 0.5932 0.8852 0.1856 0.028 Uiso 1 1 calc R . . C38 C 0.4525(2) 0.84115(16) 0.0801(2) 0.0228(5) Uani 1 1 d . . . H38A H 0.4944 0.8138 0.0187 0.027 Uiso 1 1 calc R . . H38B H 0.4385 0.8912 0.0507 0.027 Uiso 1 1 calc R . . C39 C 0.3283(2) 0.80429(13) 0.1008(2) 0.0166(5) Uani 1 1 d . . . H39 H 0.3113 0.7605 0.0508 0.020 Uiso 1 1 calc R . . C40 C 0.2226(2) 0.84496(14) 0.1316(2) 0.0153(4) Uani 1 1 d . . . H40 H 0.1457 0.8236 0.0990 0.018 Uiso 1 1 calc R . . C41 C 0.3249(2) 0.95868(15) 0.2281(2) 0.0216(5) Uani 1 1 d . . . H41A H 0.3914 0.9704 0.1755 0.026 Uiso 1 1 calc R . . H41B H 0.3001 1.0043 0.2666 0.026 Uiso 1 1 calc R . . C42 C 0.2153(2) 0.92756(15) 0.1524(2) 0.0202(5) Uani 1 1 d . . . H42A H 0.1398 0.9386 0.1927 0.024 Uiso 1 1 calc R . . H42B H 0.2116 0.9526 0.0753 0.024 Uiso 1 1 calc R . . C43 C 0.3397(4) 0.8641(3) 0.7535(5) 0.0560(11) Uani 1 1 d . . . H43A H 0.3121 0.8394 0.6801 0.067 Uiso 1 1 calc R . . H43B H 0.3394 0.8277 0.8176 0.067 Uiso 1 1 calc R . . Cl1 Cl 0.31371(6) 0.75657(4) 0.49200(5) 0.02078(11) Uani 1 1 d . . . Cl2 Cl 0.37495(7) 0.53566(5) 0.67039(8) 0.03827(18) Uani 1 1 d . . . Cl3 Cl 0.41184(9) 0.67155(6) 0.80849(9) 0.0470(2) Uani 1 1 d . . . Cl4 Cl 0.48885(15) 0.89475(14) 0.7369(2) 0.1193(8) Uani 1 1 d . . . Cl5 Cl 0.23671(17) 0.93327(8) 0.78515(15) 0.0834(4) Uani 1 1 d . . . N1 N 0.24543(17) 0.61062(12) 0.30502(19) 0.0155(4) Uani 1 1 d . . . O1 O -0.23078(15) 0.70352(11) 0.14020(15) 0.0185(3) Uani 1 1 d . . . O2 O -0.16643(15) 0.59879(10) 0.04504(16) 0.0169(3) Uani 1 1 d . . . O3 O 0.13744(14) 0.67874(9) 0.11365(14) 0.0123(3) Uani 1 1 d . . . O4 O 0.04929(14) 0.67714(9) 0.32197(14) 0.0132(3) Uani 1 1 d . . . P1 P 0.17785(5) 0.68621(3) 0.25525(5) 0.01165(10) Uani 1 1 d . . . Rh1 Rh 0.292347(13) 0.789792(10) 0.285963(13) 0.01265(3) Uani 1 1 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 C1 0.0241(12) 0.0335(16) 0.0303(14) 0.0082(12) -0.0014(10) -0.0006(11) C2 0.0152(9) 0.0117(9) 0.0149(9) -0.0004(7) 0.0013(7) 0.0004(7) C3 0.0164(9) 0.0185(11) 0.0198(10) -0.0008(9) 0.0051(8) -0.0011(8) C4 0.0172(10) 0.0202(12) 0.0320(13) -0.0036(10) 0.0033(9) 0.0061(9) C5 0.0304(13) 0.0169(12) 0.0305(14) -0.0019(10) -0.0020(11) 0.0061(10) C6 0.0299(13) 0.0132(11) 0.0281(13) -0.0007(10) 0.0030(10) 0.0000(9) C7 0.0197(10) 0.0147(11) 0.0214(11) -0.0003(9) 0.0004(8) -0.0010(8) C8 0.0105(8) 0.0109(9) 0.0130(8) 0.0002(7) 0.0013(6) -0.0012(7) C9 0.0152(9) 0.0144(10) 0.0118(8) 0.0002(7) 0.0011(7) 0.0017(7) C10 0.0235(11) 0.0160(11) 0.0151(9) 0.0007(8) 0.0000(8) -0.0030(9) C11 0.0338(14) 0.0263(14) 0.0168(11) 0.0070(10) -0.0015(10) -0.0062(11) C12 0.0342(14) 0.0364(17) 0.0132(10) 0.0043(10) -0.0018(10) -0.0056(12) C13 0.0256(12) 0.0270(13) 0.0128(9) -0.0025(9) -0.0027(8) -0.0014(10) C14 0.0193(10) 0.0175(11) 0.0167(10) 0.0003(8) -0.0005(8) -0.0018(8) C15 0.0118(8) 0.0146(10) 0.0122(8) 0.0004(7) 0.0000(7) -0.0014(7) C16 0.0128(8) 0.0154(10) 0.0135(9) 0.0013(7) -0.0009(7) 0.0018(7) C17 0.0142(9) 0.0198(11) 0.0174(10) -0.0029(9) -0.0007(7) 0.0003(8) C18 0.0153(10) 0.0350(16) 0.0305(13) 0.0018(12) 0.0022(9) -0.0024(10) C19 0.0183(10) 0.0275(14) 0.0190(11) 0.0008(10) -0.0039(8) 0.0024(10) C20 0.0176(11) 0.0400(17) 0.0315(14) 0.0154(13) 0.0092(10) 0.0073(11) C21 0.0205(12) 0.053(2) 0.0410(17) 0.0166(16) 0.0170(12) 0.0076(13) C22 0.0146(10) 0.059(2) 0.0281(14) 0.0228(14) 0.0025(10) -0.0070(12) C23 0.0309(13) 0.0292(15) 0.0219(12) 0.0065(11) 0.0013(10) -0.0145(12) C24 0.0245(11) 0.0227(13) 0.0179(10) 0.0003(9) 0.0051(9) -0.0059(10) C25 0.0121(8) 0.0227(12) 0.0136(9) 0.0048(8) 0.0011(7) -0.0026(8) C26 0.0113(8) 0.0155(10) 0.0126(9) 0.0002(7) 0.0012(7) 0.0011(7) C27 0.0190(10) 0.0195(12) 0.0213(11) 0.0017(9) 0.0068(9) 0.0029(9) C28 0.0151(8) 0.0186(14) 0.0157(8) -0.0019(8) 0.0054(6) -0.0011(8) C29 0.0202(10) 0.0218(12) 0.0176(10) -0.0020(9) 0.0034(8) -0.0045(9) C30 0.0305(13) 0.0230(13) 0.0284(13) -0.0093(11) 0.0068(11) -0.0054(11) C31 0.0363(15) 0.0174(12) 0.0380(15) -0.0096(11) 0.0180(13) -0.0026(11) C32 0.0261(12) 0.0181(12) 0.0336(14) 0.0038(11) 0.0116(11) 0.0052(10) C33 0.0222(11) 0.0174(11) 0.0281(12) 0.0098(10) -0.0046(9) -0.0034(9) C34 0.0145(10) 0.0236(13) 0.0283(12) 0.0016(10) 0.0011(9) 0.0030(9) C35 0.0204(10) 0.0149(11) 0.0203(11) -0.0031(9) 0.0005(8) -0.0046(8) C36 0.0140(9) 0.0192(12) 0.0260(12) 0.0025(9) -0.0027(8) -0.0041(8) C37 0.0143(10) 0.0230(13) 0.0321(13) -0.0014(11) 0.0031(9) -0.0027(9) C38 0.0191(10) 0.0227(13) 0.0272(12) -0.0022(10) 0.0091(9) -0.0038(9) C39 0.0171(9) 0.0190(13) 0.0139(8) 0.0002(7) 0.0023(7) -0.0043(7) C40 0.0159(9) 0.0159(10) 0.0141(9) -0.0004(8) 0.0015(7) -0.0012(8) C41 0.0257(12) 0.0121(10) 0.0269(12) -0.0005(9) 0.0006(10) -0.0022(9) C42 0.0220(11) 0.0160(11) 0.0225(11) 0.0016(9) -0.0004(9) 0.0005(9) C43 0.053(2) 0.053(3) 0.061(3) -0.022(2) 0.000(2) -0.001(2) Cl1 0.0228(3) 0.0253(3) 0.0141(2) 0.0001(2) -0.00079(19) -0.0032(2) Cl2 0.0290(3) 0.0356(4) 0.0509(5) 0.0098(4) 0.0122(3) 0.0004(3) Cl3 0.0434(5) 0.0518(6) 0.0450(5) 0.0065(4) -0.0117(4) -0.0167(4) Cl4 0.0667(9) 0.161(2) 0.1309(16) -0.0455(15) 0.0106(10) -0.0495(11) Cl5 0.1183(12) 0.0442(7) 0.0901(10) -0.0130(7) 0.0377(9) 0.0107(8) N1 0.0119(8) 0.0147(9) 0.0200(9) 0.0028(7) -0.0007(7) 0.0003(7) O1 0.0134(7) 0.0245(9) 0.0174(8) -0.0051(7) -0.0025(6) 0.0027(6) O2 0.0122(7) 0.0187(8) 0.0195(8) -0.0016(6) -0.0027(6) -0.0012(6) O3 0.0128(6) 0.0120(7) 0.0119(6) 0.0001(5) -0.0005(5) -0.0026(5) O4 0.0116(6) 0.0145(8) 0.0137(7) 0.0027(6) 0.0021(5) -0.0002(6) P1 0.0112(2) 0.0127(3) 0.0111(2) 0.00084(19) 0.00026(18) -0.00112(19) Rh1 0.01248(6) 0.01287(6) 0.01265(6) -0.00053(7) 0.00098(4) -0.00223(7) _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 C1 Cl3 1.763(3) . ? C1 Cl2 1.784(4) . ? C2 C7 1.391(3) . ? C2 C3 1.400(3) . ? C2 C8 1.521(3) . ? C3 C4 1.385(4) . ? C4 C5 1.395(4) . ? C5 C6 1.378(4) . ? C6 C7 1.396(4) . ? C8 O3 1.460(3) . ? C8 C9 1.530(3) . ? C8 C15 1.558(3) . ? C9 C10 1.384(3) . ? C9 C14 1.404(3) . ? C10 C11 1.404(3) . ? C11 C12 1.385(4) . ? C12 C13 1.386(4) . ? C13 C14 1.390(3) . ? C15 O2 1.424(3) . ? C15 C16 1.527(3) . ? C16 O1 1.425(3) . ? C16 C26 1.556(3) . ? C17 O1 1.429(3) . ? C17 O2 1.442(3) . ? C17 C18 1.511(4) . ? C17 C19 1.519(4) . ? C20 C25 1.386(4) . ? C20 C21 1.402(4) . ? C21 C22 1.383(5) . ? C22 C23 1.372(5) . ? C23 C24 1.406(4) . ? C24 C25 1.392(4) . ? C25 C26 1.537(3) . ? C26 O4 1.468(3) . ? C26 C28 1.525(4) . ? C27 C28 1.391(4) . ? C27 C32 1.399(4) . ? C28 C29 1.393(3) . ? C29 C30 1.392(4) . ? C30 C31 1.393(5) . ? C31 C32 1.392(5) . ? C33 N1 1.459(3) . ? C34 N1 1.468(3) . ? C35 C36 1.376(4) . ? C35 C41 1.520(4) . ? C35 Rh1 2.266(2) . ? C36 C37 1.516(4) . ? C36 Rh1 2.230(2) . ? C37 C38 1.528(4) . ? C38 C39 1.531(3) . ? C39 C40 1.417(3) . ? C39 Rh1 2.130(2) . ? C40 C42 1.509(4) . ? C40 Rh1 2.107(2) . ? C41 C42 1.544(4) . ? C43 Cl5 1.721(5) . ? C43 Cl4 1.732(5) . ? Cl1 Rh1 2.3777(6) . ? N1 P1 1.637(2) . ? O3 P1 1.6300(16) . ? O4 P1 1.6153(16) . ? P1 Rh1 2.2648(6) . ? 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 Cl3 C1 Cl2 110.53(16) . . ? C7 C2 C3 118.8(2) . . ? C7 C2 C8 122.0(2) . . ? C3 C2 C8 119.1(2) . . ? C4 C3 C2 120.9(2) . . ? C3 C4 C5 119.7(2) . . ? C6 C5 C4 120.0(3) . . ? C5 C6 C7 120.3(3) . . ? C2 C7 C6 120.3(2) . . ? O3 C8 C2 109.83(17) . . ? O3 C8 C9 106.34(17) . . ? C2 C8 C9 109.85(18) . . ? O3 C8 C15 106.30(17) . . ? C2 C8 C15 113.08(18) . . ? C9 C8 C15 111.15(17) . . ? C10 C9 C14 118.8(2) . . ? C10 C9 C8 123.0(2) . . ? C14 C9 C8 118.2(2) . . ? C9 C10 C11 120.8(2) . . ? C12 C11 C10 119.5(3) . . ? C11 C12 C13 120.5(2) . . ? C12 C13 C14 119.8(2) . . ? C13 C14 C9 120.5(2) . . ? O2 C15 C16 104.60(17) . . ? O2 C15 C8 113.61(18) . . ? C16 C15 C8 111.45(18) . . ? O1 C16 C15 104.45(18) . . ? O1 C16 C26 110.04(18) . . ? C15 C16 C26 113.16(18) . . ? O1 C17 O2 105.60(17) . . ? O1 C17 C18 108.0(2) . . ? O2 C17 C18 108.9(2) . . ? O1 C17 C19 110.7(2) . . ? O2 C17 C19 109.98(19) . . ? C18 C17 C19 113.3(2) . . ? C25 C20 C21 120.7(3) . . ? C22 C21 C20 120.2(3) . . ? C23 C22 C21 119.8(3) . . ? C22 C23 C24 120.1(3) . . ? C25 C24 C23 120.6(3) . . ? C20 C25 C24 118.6(2) . . ? C20 C25 C26 120.6(2) . . ? C24 C25 C26 120.8(2) . . ? O4 C26 C28 110.26(17) . . ? O4 C26 C25 105.20(18) . . ? C28 C26 C25 110.54(19) . . ? O4 C26 C16 107.92(17) . . ? C28 C26 C16 112.29(19) . . ? C25 C26 C16 110.36(18) . . ? C28 C27 C32 120.9(3) . . ? C27 C28 C29 119.0(3) . . ? C27 C28 C26 121.0(2) . . ? C29 C28 C26 119.8(2) . . ? C30 C29 C28 120.7(3) . . ? C29 C30 C31 119.8(3) . . ? C32 C31 C30 120.1(3) . . ? C31 C32 C27 119.4(3) . . ? C36 C35 C41 123.8(2) . . ? C36 C35 Rh1 70.77(15) . . ? C41 C35 Rh1 110.26(16) . . ? C35 C36 C37 126.1(2) . . ? C35 C36 Rh1 73.61(14) . . ? C37 C36 Rh1 106.97(17) . . ? C36 C37 C38 113.4(2) . . ? C37 C38 C39 113.3(2) . . ? C40 C39 C38 122.7(2) . . ? C40 C39 Rh1 69.58(13) . . ? C38 C39 Rh1 112.99(16) . . ? C39 C40 C42 126.5(2) . . ? C39 C40 Rh1 71.36(13) . . ? C42 C40 Rh1 111.08(16) . . ? C35 C41 C42 112.2(2) . . ? C40 C42 C41 113.5(2) . . ? Cl5 C43 Cl4 114.2(3) . . ? C33 N1 C34 112.9(2) . . ? C33 N1 P1 127.56(16) . . ? C34 N1 P1 119.52(17) . . ? C16 O1 C17 108.22(17) . . ? C15 O2 C17 110.19(18) . . ? C8 O3 P1 130.68(14) . . ? C26 O4 P1 126.17(14) . . ? O4 P1 O3 103.16(8) . . ? O4 P1 N1 98.40(10) . . ? O3 P1 N1 111.29(10) . . ? O4 P1 Rh1 119.67(7) . . ? O3 P1 Rh1 110.11(6) . . ? N1 P1 Rh1 113.35(8) . . ? C40 Rh1 C39 39.06(9) . . ? C40 Rh1 C36 96.83(9) . . ? C39 Rh1 C36 81.75(9) . . ? C40 Rh1 P1 94.83(7) . . ? C39 Rh1 P1 94.17(6) . . ? C36 Rh1 P1 155.60(7) . . ? C40 Rh1 C35 81.04(9) . . ? C39 Rh1 C35 89.20(9) . . ? C36 Rh1 C35 35.62(9) . . ? P1 Rh1 C35 168.73(7) . . ? C40 Rh1 Cl1 158.25(7) . . ? C39 Rh1 Cl1 162.17(6) . . ? C36 Rh1 Cl1 88.55(7) . . ? P1 Rh1 Cl1 88.50(2) . . ? C35 Rh1 Cl1 91.57(7) . . ? _diffrn_measured_fraction_theta_max 0.980 _diffrn_reflns_theta_full 40.55 _diffrn_measured_fraction_theta_full 0.980 _refine_diff_density_max 1.854 _refine_diff_density_min -1.097 _refine_diff_density_rms 0.137