# Supplementary Material (ESI) for Dalton Transactions # This journal is (c) The Royal Society of Chemistry 2009 data_global _journal_name_full 'Dalton Trans.' _journal_coden_Cambridge 0222 _publ_contact_author_name 'vincenzo passarelli' _publ_contact_author_email VINCENZO.PASSARELLI@POSTE.IT _publ_section_title ; Synthesis of the novel hydride derivative RhHCl(TIMP3) (HTIMP3 = tris[1-(diphenylphosphino)-3-methyl-1H-indol-2-yl]methane) and investigation of its reactivity ; loop_ _publ_author_name 'vincenzo passarelli' 'Marco Ciclosi' 'Francisco Estevan' 'Pascual Lahuerta' J.Perez-Prieto ; M.Sanau ; # Attachment '1Ref.cif' data_shelxl _database_code_depnum_ccdc_archive 'CCDC 697119' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C64 H52 Cl N3 P3 Rh, 2(C H Cl3)' _chemical_formula_sum 'C66 H54 Cl7 N3 P3 Rh' _chemical_formula_weight 1333.08 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' O O 0.0106 0.0060 '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' P P 0.1023 0.0942 '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' Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M C2/c loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y, -z+1/2' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y, z-1/2' '-x+1/2, -y+1/2, -z' 'x+1/2, -y+1/2, z-1/2' _cell_length_a 45.545(6) _cell_length_b 13.740(2) _cell_length_c 21.483(3) _cell_angle_alpha 90.00 _cell_angle_beta 112.9941(10) _cell_angle_gamma 90.00 _cell_volume 12375.6(29) _cell_formula_units_Z 8 _cell_measurement_temperature 298(2) _cell_measurement_reflns_used 11685 _cell_measurement_theta_min 0.998 _cell_measurement_theta_max 27.485 _exptl_crystal_description prismatic _exptl_crystal_colour brown _exptl_crystal_size_max 0.25 _exptl_crystal_size_mid 0.23 _exptl_crystal_size_min 0.19 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.430 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 5432 _exptl_absorpt_coefficient_mu 0.699 _exptl_absorpt_correction_type none _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 298(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 ? _diffrn_measurement_method ? _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 22233 _diffrn_reflns_av_R_equivalents 0.0361 _diffrn_reflns_av_sigmaI/netI 0.0611 _diffrn_reflns_limit_h_min -59 _diffrn_reflns_limit_h_max 58 _diffrn_reflns_limit_k_min -17 _diffrn_reflns_limit_k_max 16 _diffrn_reflns_limit_l_min -26 _diffrn_reflns_limit_l_max 27 _diffrn_reflns_theta_min 1.76 _diffrn_reflns_theta_max 27.50 _reflns_number_total 13958 _reflns_number_gt 10470 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Collect(Nonius BV, 1997-2000)' _computing_cell_refinement 'Denzo & Scalepack (Otwinowski & Minor 1997)' _computing_data_reduction 'Denzo & Scalepack (Otwinowski & Minor 1997)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics SHELXTL _computing_publication_material SHELXTL _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. The hydride atom could not be located, but has been included in the chemical formula. The structure contains solvent accessible voids, probably due to highly disordered solvent molecules; however, no electron density peaks were found in chemically sensible positions. ; _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^)+(0.1127P)^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_number_reflns 13958 _refine_ls_number_parameters 724 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0956 _refine_ls_R_factor_gt 0.0678 _refine_ls_wR_factor_ref 0.2230 _refine_ls_wR_factor_gt 0.2030 _refine_ls_goodness_of_fit_ref 1.276 _refine_ls_restrained_S_all 1.276 _refine_ls_shift/su_max 0.003 _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 Rh1 Rh 0.626388(8) 0.46474(3) 0.072819(16) 0.01668(13) Uani 1 1 d . . . P1 P 0.58342(3) 0.37284(9) 0.00328(6) 0.0199(3) Uani 1 1 d . . . Cl1 Cl 0.59405(3) 0.57910(9) 0.10659(6) 0.0253(3) Uani 1 1 d . . . C1 C 0.65130(11) 0.3593(3) 0.0395(2) 0.0177(9) Uani 1 1 d . . . N1 N 0.59908(9) 0.3364(3) -0.05402(18) 0.0209(8) Uani 1 1 d . . . P2 P 0.66622(3) 0.56893(9) 0.08334(6) 0.0178(2) Uani 1 1 d . . . N2 N 0.69131(9) 0.4944(3) 0.06354(19) 0.0207(8) Uani 1 1 d . . . Cl2 Cl 0.64017(6) 0.0792(2) 0.82521(13) 0.0831(7) Uani 1 1 d . . . P3 P 0.64939(3) 0.37709(9) 0.17644(6) 0.0188(3) Uani 1 1 d . . . N3 N 0.65956(9) 0.2729(3) 0.14640(18) 0.0207(8) Uani 1 1 d . . . Cl3 Cl 0.58528(6) 0.00020(17) 0.84565(10) 0.0699(6) Uani 1 1 d . . . C3 C 0.5986(2) 0.0740(6) 0.7929(4) 0.074(3) Uani 1 1 d . . . H3A H 0.5908 0.1403 0.7938 0.089 Uiso 1 1 calc R . . Cl4 Cl 0.60052(5) 0.86121(16) 0.07531(11) 0.0664(5) Uani 1 1 d . . . C4 C 0.57402(15) 0.7842(5) 0.0157(3) 0.0487(16) Uani 1 1 d . . . H4A H 0.5798 0.7169 0.0303 0.058 Uiso 1 1 calc R . . Cl5 Cl 0.58248(12) 0.0354(3) 0.71096(12) 0.1416(17) Uani 1 1 d . . . Cl6 Cl 0.53485(5) 0.80405(19) 0.00747(16) 0.0896(8) Uani 1 1 d . . . Cl7 Cl 0.57764(6) 0.80098(19) -0.06260(10) 0.0747(6) Uani 1 1 d . . . C10 C 0.63224(11) 0.3502(3) -0.0357(2) 0.0201(9) Uani 1 1 d . . . C11 C 0.63918(11) 0.3498(4) -0.0922(2) 0.0208(9) Uani 1 1 d . . . C12 C 0.60920(12) 0.3340(3) -0.1489(2) 0.0212(9) Uani 1 1 d . . . C13 C 0.58497(11) 0.3257(4) -0.1242(2) 0.0217(10) Uani 1 1 d . . . C14 C 0.55354(12) 0.3091(4) -0.1666(2) 0.0319(12) Uani 1 1 d . . . H14A H 0.5378 0.3018 -0.1496 0.038 Uiso 1 1 calc R . . C15 C 0.54636(13) 0.3037(5) -0.2359(3) 0.0360(13) Uani 1 1 d . . . H15A H 0.5253 0.2947 -0.2657 0.043 Uiso 1 1 calc R . . C16 C 0.56998(13) 0.3116(4) -0.2612(2) 0.0320(12) Uani 1 1 d . . . H16A H 0.5645 0.3076 -0.3076 0.038 Uiso 1 1 calc R . . C17 C 0.60154(13) 0.3252(4) -0.2189(2) 0.0279(11) Uani 1 1 d . . . H17A H 0.6173 0.3285 -0.2361 0.033 Uiso 1 1 calc R . . C18 C 0.67020(12) 0.3594(4) -0.1007(2) 0.0300(12) Uani 1 1 d . . . H18A H 0.6842 0.4017 -0.0663 0.045 Uiso 1 1 calc R . . H18B H 0.6664 0.3863 -0.1444 0.045 Uiso 1 1 calc R . . H18C H 0.6799 0.2965 -0.0967 0.045 Uiso 1 1 calc R . . C20 C 0.68543(11) 0.3934(3) 0.0565(2) 0.0192(9) Uani 1 1 d . . . C21 C 0.71228(11) 0.3468(4) 0.0592(2) 0.0211(9) Uani 1 1 d . . . C22 C 0.73539(11) 0.4202(4) 0.0637(2) 0.0223(10) Uani 1 1 d . . . C23 C 0.72180(11) 0.5115(4) 0.0646(2) 0.0221(10) Uani 1 1 d . . . C24 C 0.73738(12) 0.5997(4) 0.0643(3) 0.0293(11) Uani 1 1 d . . . H24A H 0.7280 0.6593 0.0656 0.035 Uiso 1 1 calc R . . C25 C 0.76739(13) 0.5940(4) 0.0622(3) 0.0331(12) Uani 1 1 d . . . H25A H 0.7783 0.6509 0.0611 0.040 Uiso 1 1 calc R . . C26 C 0.78145(13) 0.5034(5) 0.0615(3) 0.0316(12) Uani 1 1 d . . . H26A H 0.8015 0.5016 0.0599 0.038 Uiso 1 1 calc R . . C27 C 0.76650(12) 0.4174(4) 0.0633(2) 0.0287(11) Uani 1 1 d . . . H27A H 0.7766 0.3583 0.0641 0.034 Uiso 1 1 calc R . . C28 C 0.71680(12) 0.2399(4) 0.0515(2) 0.0275(11) Uani 1 1 d . . . H28A H 0.7157 0.2055 0.0894 0.041 Uiso 1 1 calc R . . H28B H 0.7372 0.2292 0.0495 0.041 Uiso 1 1 calc R . . H28C H 0.7003 0.2168 0.0105 0.041 Uiso 1 1 calc R . . C30 C 0.65187(11) 0.2648(4) 0.0759(2) 0.0188(9) Uani 1 1 d . . . C31 C 0.65144(12) 0.1692(4) 0.0597(2) 0.0233(10) Uani 1 1 d . . . C32 C 0.66157(12) 0.1141(4) 0.1217(2) 0.0242(10) Uani 1 1 d . . . C33 C 0.66719(12) 0.1800(3) 0.1746(2) 0.0222(10) Uani 1 1 d . . . C34 C 0.68020(13) 0.1509(4) 0.2432(3) 0.0282(11) Uani 1 1 d . . . H34A H 0.6843 0.1957 0.2780 0.034 Uiso 1 1 calc R . . C35 C 0.68640(14) 0.0540(4) 0.2559(3) 0.0352(13) Uani 1 1 d . . . H35A H 0.6951 0.0325 0.3004 0.042 Uiso 1 1 calc R . . C36 C 0.68000(15) -0.0143(4) 0.2030(3) 0.0369(13) Uani 1 1 d . . . H36A H 0.6843 -0.0799 0.2132 0.044 Uiso 1 1 calc R . . C37 C 0.66746(14) 0.0156(4) 0.1364(3) 0.0319(12) Uani 1 1 d . . . H37A H 0.6630 -0.0296 0.1017 0.038 Uiso 1 1 calc R . . C38 C 0.64444(15) 0.1205(4) -0.0077(3) 0.0337(12) Uani 1 1 d . . . H38A H 0.6358 0.1674 -0.0434 0.050 Uiso 1 1 calc R . . H38B H 0.6293 0.0690 -0.0141 0.050 Uiso 1 1 calc R . . H38C H 0.6638 0.0940 -0.0085 0.050 Uiso 1 1 calc R . . C41 C 0.54791(11) 0.4410(4) -0.0469(2) 0.0245(10) Uani 1 1 d . . . C42 C 0.55081(14) 0.5240(5) -0.0805(3) 0.0395(14) Uani 1 1 d . . . H42A H 0.5710 0.5451 -0.0759 0.047 Uiso 1 1 calc R . . C43 C 0.52377(15) 0.5769(5) -0.1214(3) 0.0481(16) Uani 1 1 d . . . H43A H 0.5259 0.6310 -0.1453 0.058 Uiso 1 1 calc R . . C44 C 0.49396(15) 0.5480(5) -0.1260(3) 0.0435(15) Uani 1 1 d . . . H44A H 0.4761 0.5843 -0.1515 0.052 Uiso 1 1 calc R . . C45 C 0.49069(14) 0.4664(5) -0.0932(3) 0.0398(14) Uani 1 1 d . . . H45A H 0.4705 0.4463 -0.0975 0.048 Uiso 1 1 calc R . . C46 C 0.51714(13) 0.4130(5) -0.0535(3) 0.0336(12) Uani 1 1 d . . . H46A H 0.5146 0.3580 -0.0309 0.040 Uiso 1 1 calc R . . C51 C 0.56745(11) 0.2614(4) 0.0227(2) 0.0244(10) Uani 1 1 d . . . C52 C 0.56606(14) 0.1749(4) -0.0122(3) 0.0337(12) Uani 1 1 d . . . H52A H 0.5738 0.1734 -0.0464 0.040 Uiso 1 1 calc R . . C53 C 0.55335(16) 0.0913(5) 0.0032(3) 0.0459(15) Uani 1 1 d . . . H53A H 0.5531 0.0337 -0.0197 0.055 Uiso 1 1 calc R . . C54 C 0.54101(16) 0.0935(5) 0.0528(3) 0.0480(16) Uani 1 1 d . . . H54A H 0.5319 0.0377 0.0623 0.058 Uiso 1 1 calc R . . C55 C 0.54220(14) 0.1790(5) 0.0884(3) 0.0417(15) Uani 1 1 d . . . H55A H 0.5340 0.1805 0.1218 0.050 Uiso 1 1 calc R . . C56 C 0.55574(13) 0.2627(5) 0.0738(3) 0.0335(12) Uani 1 1 d . . . H56A H 0.5570 0.3195 0.0982 0.040 Uiso 1 1 calc R . . C61 C 0.68829(11) 0.6248(3) 0.1654(2) 0.0214(9) Uani 1 1 d . . . C62 C 0.67018(12) 0.6827(4) 0.1904(2) 0.0244(10) Uani 1 1 d . . . H62A H 0.6485 0.6911 0.1654 0.029 Uiso 1 1 calc R . . C63 C 0.68482(13) 0.7275(4) 0.2526(2) 0.0267(11) Uani 1 1 d . . . H63A H 0.6729 0.7661 0.2697 0.032 Uiso 1 1 calc R . . C64 C 0.71743(14) 0.7149(4) 0.2897(3) 0.0344(12) Uani 1 1 d . . . H64A H 0.7273 0.7471 0.3307 0.041 Uiso 1 1 calc R . . C65 C 0.73505(14) 0.6554(5) 0.2664(3) 0.0364(13) Uani 1 1 d . . . H65A H 0.7566 0.6452 0.2924 0.044 Uiso 1 1 calc R . . C66 C 0.72062(12) 0.6099(4) 0.2035(2) 0.0262(10) Uani 1 1 d . . . H66A H 0.7325 0.5700 0.1872 0.031 Uiso 1 1 calc R . . C71 C 0.66083(11) 0.6681(4) 0.0228(2) 0.0208(9) Uani 1 1 d . . . C72 C 0.66801(13) 0.7638(4) 0.0407(2) 0.0265(11) Uani 1 1 d . . . H72A H 0.6746 0.7819 0.0858 0.032 Uiso 1 1 calc R . . C73 C 0.66557(14) 0.8337(4) -0.0076(3) 0.0338(12) Uani 1 1 d . . . H73A H 0.6703 0.8984 0.0051 0.041 Uiso 1 1 calc R . . C74 C 0.65603(13) 0.8068(4) -0.0747(2) 0.0294(11) Uani 1 1 d . . . H74A H 0.6541 0.8536 -0.1074 0.035 Uiso 1 1 calc R . . C75 C 0.64929(13) 0.7101(4) -0.0934(2) 0.0298(11) Uani 1 1 d . . . H75A H 0.6434 0.6917 -0.1383 0.036 Uiso 1 1 calc R . . C76 C 0.65130(12) 0.6413(4) -0.0450(2) 0.0273(11) Uani 1 1 d . . . H76A H 0.6463 0.5768 -0.0577 0.033 Uiso 1 1 calc R . . C81 C 0.62136(11) 0.3472(4) 0.2157(2) 0.0217(10) Uani 1 1 d . . . C82 C 0.61074(12) 0.2540(4) 0.2218(2) 0.0266(11) Uani 1 1 d . . . H82A H 0.6188 0.2006 0.2069 0.032 Uiso 1 1 calc R . . C83 C 0.58838(13) 0.2404(4) 0.2497(3) 0.0338(12) Uani 1 1 d . . . H83A H 0.5815 0.1778 0.2535 0.041 Uiso 1 1 calc R . . C84 C 0.57606(13) 0.3195(4) 0.2721(3) 0.0337(12) Uani 1 1 d . . . H84A H 0.5609 0.3099 0.2907 0.040 Uiso 1 1 calc R . . C85 C 0.58648(13) 0.4127(4) 0.2665(3) 0.0328(12) Uani 1 1 d . . . H85A H 0.5785 0.4659 0.2817 0.039 Uiso 1 1 calc R . . C86 C 0.60889(12) 0.4264(4) 0.2383(2) 0.0250(10) Uani 1 1 d . . . H86A H 0.6157 0.4890 0.2344 0.030 Uiso 1 1 calc R . . C91 C 0.68654(12) 0.4000(4) 0.2487(2) 0.0223(10) Uani 1 1 d . . . C92 C 0.68833(14) 0.4349(4) 0.3112(3) 0.0335(12) Uani 1 1 d . . . H92A H 0.6697 0.4520 0.3167 0.040 Uiso 1 1 calc R . . C93 C 0.71759(14) 0.4443(5) 0.3653(3) 0.0442(16) Uani 1 1 d . . . H93A H 0.7183 0.4668 0.4067 0.053 Uiso 1 1 calc R . . C94 C 0.74527(15) 0.4208(5) 0.3585(3) 0.0444(15) Uani 1 1 d . . . H94A H 0.7647 0.4274 0.3951 0.053 Uiso 1 1 calc R . . C95 C 0.74446(14) 0.3874(5) 0.2973(3) 0.0391(14) Uani 1 1 d . . . H95A H 0.7634 0.3717 0.2927 0.047 Uiso 1 1 calc R . . C96 C 0.71570(12) 0.3771(4) 0.2428(3) 0.0308(12) Uani 1 1 d . . . H96A H 0.7155 0.3548 0.2017 0.037 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 0.0165(2) 0.0181(2) 0.01616(19) -0.00026(13) 0.00717(14) 0.00071(14) P1 0.0178(6) 0.0239(6) 0.0186(5) -0.0008(5) 0.0077(5) 0.0002(5) Cl1 0.0259(6) 0.0258(6) 0.0278(6) 0.0001(5) 0.0143(5) 0.0060(5) C1 0.021(2) 0.017(2) 0.017(2) -0.0021(17) 0.0091(18) 0.0009(18) N1 0.021(2) 0.025(2) 0.0178(17) 0.0000(16) 0.0078(16) -0.0011(16) P2 0.0175(6) 0.0179(6) 0.0186(5) -0.0007(4) 0.0078(5) 0.0004(4) N2 0.0166(19) 0.024(2) 0.0245(19) 0.0006(17) 0.0111(16) -0.0003(16) Cl2 0.0766(15) 0.1028(19) 0.0871(15) 0.0159(14) 0.0506(13) 0.0182(13) P3 0.0210(6) 0.0191(6) 0.0172(5) -0.0004(4) 0.0085(5) 0.0002(5) N3 0.025(2) 0.020(2) 0.0166(17) 0.0002(15) 0.0075(16) -0.0001(16) Cl3 0.0953(16) 0.0634(12) 0.0511(10) -0.0057(9) 0.0285(11) -0.0222(12) C3 0.113(8) 0.041(4) 0.049(4) 0.007(3) 0.012(5) -0.007(5) Cl4 0.0504(11) 0.0643(12) 0.0748(12) -0.0151(10) 0.0139(9) 0.0071(9) C4 0.039(4) 0.048(4) 0.060(4) 0.016(3) 0.020(3) 0.005(3) Cl5 0.239(5) 0.117(3) 0.0439(12) -0.0031(13) 0.0285(19) -0.076(3) Cl6 0.0431(11) 0.0734(15) 0.159(2) 0.0082(15) 0.0467(14) 0.0014(10) Cl7 0.0792(14) 0.0861(16) 0.0579(11) 0.0108(11) 0.0258(11) -0.0158(12) C10 0.021(2) 0.018(2) 0.022(2) -0.0019(18) 0.0087(19) -0.0004(18) C11 0.023(2) 0.022(2) 0.018(2) -0.0008(18) 0.0081(19) 0.0009(19) C12 0.028(3) 0.017(2) 0.019(2) 0.0009(18) 0.0094(19) 0.0014(19) C13 0.024(2) 0.024(2) 0.016(2) -0.0013(18) 0.0074(19) -0.0016(19) C14 0.024(3) 0.047(3) 0.023(2) -0.005(2) 0.007(2) -0.001(2) C15 0.027(3) 0.050(4) 0.024(2) -0.003(2) 0.003(2) -0.004(3) C16 0.036(3) 0.039(3) 0.018(2) 0.000(2) 0.007(2) 0.004(2) C17 0.036(3) 0.028(3) 0.021(2) 0.003(2) 0.012(2) 0.006(2) C18 0.021(3) 0.047(3) 0.022(2) 0.001(2) 0.009(2) -0.001(2) C20 0.021(2) 0.022(2) 0.0156(19) 0.0008(17) 0.0074(18) 0.0033(18) C21 0.018(2) 0.027(3) 0.0160(19) 0.0013(18) 0.0040(18) 0.0002(19) C22 0.016(2) 0.034(3) 0.017(2) -0.0013(19) 0.0071(18) 0.004(2) C23 0.013(2) 0.032(3) 0.021(2) -0.001(2) 0.0065(18) -0.0022(19) C24 0.026(3) 0.031(3) 0.034(3) 0.003(2) 0.015(2) 0.001(2) C25 0.025(3) 0.041(3) 0.035(3) 0.002(2) 0.013(2) -0.007(2) C26 0.024(3) 0.046(3) 0.031(3) 0.000(2) 0.018(2) 0.001(2) C27 0.024(3) 0.040(3) 0.021(2) -0.006(2) 0.007(2) 0.004(2) C28 0.026(3) 0.029(3) 0.026(2) -0.003(2) 0.009(2) 0.008(2) C30 0.017(2) 0.026(2) 0.0134(19) -0.0027(18) 0.0059(17) 0.0019(18) C31 0.027(3) 0.021(2) 0.022(2) 0.0019(19) 0.010(2) 0.001(2) C32 0.027(3) 0.021(2) 0.025(2) 0.0025(19) 0.010(2) -0.001(2) C33 0.025(2) 0.017(2) 0.025(2) 0.0036(18) 0.009(2) 0.0038(19) C34 0.033(3) 0.025(3) 0.027(2) 0.006(2) 0.012(2) -0.001(2) C35 0.036(3) 0.036(3) 0.034(3) 0.017(2) 0.015(2) 0.006(2) C36 0.051(4) 0.018(3) 0.047(3) 0.011(2) 0.026(3) 0.009(2) C37 0.043(3) 0.021(3) 0.036(3) -0.001(2) 0.021(3) 0.004(2) C38 0.047(3) 0.022(3) 0.030(3) -0.010(2) 0.012(3) 0.002(2) C41 0.019(2) 0.031(3) 0.021(2) -0.002(2) 0.0044(19) 0.004(2) C42 0.028(3) 0.044(4) 0.043(3) 0.010(3) 0.010(3) 0.006(3) C43 0.031(3) 0.049(4) 0.052(4) 0.020(3) 0.003(3) 0.006(3) C44 0.032(3) 0.054(4) 0.035(3) -0.002(3) 0.003(3) 0.016(3) C45 0.025(3) 0.055(4) 0.039(3) -0.005(3) 0.011(2) 0.000(3) C46 0.026(3) 0.042(3) 0.032(3) -0.003(2) 0.011(2) -0.001(2) C51 0.019(2) 0.031(3) 0.023(2) 0.003(2) 0.0064(19) -0.004(2) C52 0.035(3) 0.029(3) 0.038(3) -0.003(2) 0.016(2) -0.004(2) C53 0.051(4) 0.028(3) 0.057(4) -0.001(3) 0.019(3) -0.010(3) C54 0.040(4) 0.046(4) 0.049(4) 0.014(3) 0.008(3) -0.013(3) C55 0.036(3) 0.056(4) 0.030(3) 0.009(3) 0.010(3) -0.015(3) C56 0.028(3) 0.047(3) 0.026(2) 0.004(2) 0.011(2) -0.009(2) C61 0.022(2) 0.020(2) 0.023(2) 0.0017(18) 0.0094(19) 0.0001(19) C62 0.028(3) 0.025(3) 0.023(2) 0.000(2) 0.013(2) 0.001(2) C63 0.035(3) 0.022(3) 0.026(2) 0.000(2) 0.015(2) 0.001(2) C64 0.044(3) 0.035(3) 0.020(2) -0.009(2) 0.008(2) -0.011(3) C65 0.028(3) 0.048(4) 0.027(3) -0.008(2) 0.005(2) -0.005(3) C66 0.027(3) 0.028(3) 0.021(2) -0.005(2) 0.006(2) -0.002(2) C71 0.019(2) 0.024(2) 0.021(2) 0.0034(18) 0.0084(18) 0.0009(18) C72 0.034(3) 0.023(3) 0.024(2) 0.000(2) 0.013(2) -0.001(2) C73 0.044(3) 0.021(3) 0.041(3) 0.002(2) 0.021(3) 0.000(2) C74 0.035(3) 0.032(3) 0.025(2) 0.010(2) 0.015(2) 0.003(2) C75 0.030(3) 0.038(3) 0.020(2) 0.003(2) 0.009(2) 0.000(2) C76 0.031(3) 0.024(3) 0.025(2) -0.001(2) 0.009(2) -0.002(2) C81 0.021(2) 0.027(3) 0.017(2) 0.0018(18) 0.0064(18) -0.001(2) C82 0.022(2) 0.028(3) 0.028(2) -0.002(2) 0.008(2) 0.001(2) C83 0.036(3) 0.037(3) 0.028(3) 0.007(2) 0.013(2) -0.009(2) C84 0.028(3) 0.048(4) 0.029(3) 0.009(2) 0.016(2) 0.000(2) C85 0.032(3) 0.042(3) 0.030(3) 0.007(2) 0.018(2) 0.011(2) C86 0.024(3) 0.029(3) 0.023(2) 0.005(2) 0.010(2) 0.004(2) C91 0.026(3) 0.020(2) 0.020(2) -0.0033(18) 0.0069(19) -0.0016(19) C92 0.031(3) 0.041(3) 0.028(3) -0.010(2) 0.011(2) 0.001(2) C93 0.032(3) 0.067(4) 0.025(3) -0.020(3) 0.002(2) 0.008(3) C94 0.030(3) 0.056(4) 0.033(3) -0.013(3) -0.004(2) 0.000(3) C95 0.025(3) 0.052(4) 0.038(3) -0.005(3) 0.010(2) 0.006(3) C96 0.025(3) 0.043(3) 0.025(2) -0.003(2) 0.011(2) -0.002(2) _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 2.129(4) . ? Rh1 P2 2.2521(12) . ? Rh1 P1 2.3178(13) . ? Rh1 P3 2.3836(12) . ? Rh1 Cl1 2.4494(11) . ? P1 N1 1.721(4) . ? P1 C51 1.812(5) . ? P1 C41 1.815(5) . ? C1 C10 1.511(6) . ? C1 C30 1.511(6) . ? C1 C20 1.525(6) . ? N1 C13 1.397(6) . ? N1 C10 1.417(6) . ? P2 N2 1.707(4) . ? P2 C61 1.823(5) . ? P2 C71 1.833(5) . ? N2 C23 1.400(6) . ? N2 C20 1.411(6) . ? Cl2 C3 1.746(11) . ? P3 N3 1.707(4) . ? P3 C91 1.822(5) . ? P3 C81 1.831(5) . ? N3 C33 1.397(6) . ? N3 C30 1.420(5) . ? Cl3 C3 1.794(9) . ? C3 Cl5 1.705(8) . ? C3 H3A 0.9800 . ? Cl4 C4 1.735(8) . ? C4 Cl6 1.744(7) . ? C4 Cl7 1.767(7) . ? C4 H4A 0.9800 . ? C10 C11 1.368(6) . ? C11 C12 1.448(7) . ? C11 C18 1.499(6) . ? C12 C13 1.405(6) . ? C12 C17 1.409(6) . ? C13 C14 1.383(7) . ? C14 C15 1.396(7) . ? C14 H14A 0.9300 . ? C15 C16 1.386(8) . ? C15 H15A 0.9300 . ? C16 C17 1.381(8) . ? C16 H16A 0.9300 . ? C17 H17A 0.9300 . ? C18 H18A 0.9600 . ? C18 H18B 0.9600 . ? C18 H18C 0.9600 . ? C20 C21 1.361(6) . ? C21 C22 1.433(7) . ? C21 C28 1.502(7) . ? C22 C23 1.403(7) . ? C22 C27 1.421(7) . ? C23 C24 1.405(7) . ? C24 C25 1.388(7) . ? C24 H24A 0.9300 . ? C25 C26 1.402(8) . ? C25 H25A 0.9300 . ? C26 C27 1.371(8) . ? C26 H26A 0.9300 . ? C27 H27A 0.9300 . ? C28 H28A 0.9600 . ? C28 H28B 0.9600 . ? C28 H28C 0.9600 . ? C30 C31 1.356(7) . ? C31 C32 1.443(6) . ? C31 C38 1.513(6) . ? C32 C37 1.391(7) . ? C32 C33 1.397(7) . ? C33 C34 1.413(7) . ? C34 C35 1.367(8) . ? C34 H34A 0.9300 . ? C35 C36 1.413(8) . ? C35 H35A 0.9300 . ? C36 C37 1.380(8) . ? C36 H36A 0.9300 . ? C37 H37A 0.9300 . ? C38 H38A 0.9600 . ? C38 H38B 0.9600 . ? C38 H38C 0.9600 . ? C41 C42 1.383(8) . ? C41 C46 1.406(7) . ? C42 C43 1.404(8) . ? C42 H42A 0.9300 . ? C43 C44 1.381(9) . ? C43 H43A 0.9300 . ? C44 C45 1.363(9) . ? C44 H44A 0.9300 . ? C45 C46 1.383(8) . ? C45 H45A 0.9300 . ? C46 H46A 0.9300 . ? C51 C56 1.394(7) . ? C51 C52 1.395(7) . ? C52 C53 1.383(8) . ? C52 H52A 0.9300 . ? C53 C54 1.386(9) . ? C53 H53A 0.9300 . ? C54 C55 1.392(10) . ? C54 H54A 0.9300 . ? C55 C56 1.397(8) . ? C55 H55A 0.9300 . ? C56 H56A 0.9300 . ? C61 C66 1.392(7) . ? C61 C62 1.396(7) . ? C62 C63 1.383(7) . ? C62 H62A 0.9300 . ? C63 C64 1.395(8) . ? C63 H63A 0.9300 . ? C64 C65 1.370(8) . ? C64 H64A 0.9300 . ? C65 C66 1.398(7) . ? C65 H65A 0.9300 . ? C66 H66A 0.9300 . ? C71 C72 1.373(7) . ? C71 C76 1.397(6) . ? C72 C73 1.386(7) . ? C72 H72A 0.9300 . ? C73 C74 1.384(7) . ? C73 H73A 0.9300 . ? C74 C75 1.387(8) . ? C74 H74A 0.9300 . ? C75 C76 1.380(7) . ? C75 H75A 0.9300 . ? C76 H76A 0.9300 . ? C81 C82 1.393(7) . ? C81 C86 1.399(7) . ? C82 C83 1.382(7) . ? C82 H82A 0.9300 . ? C83 C84 1.393(8) . ? C83 H83A 0.9300 . ? C84 C85 1.387(8) . ? C84 H84A 0.9300 . ? C85 C86 1.388(7) . ? C85 H85A 0.9300 . ? C86 H86A 0.9300 . ? C91 C92 1.398(7) . ? C91 C96 1.419(7) . ? C92 C93 1.390(8) . ? C92 H92A 0.9300 . ? C93 C94 1.364(9) . ? C93 H93A 0.9300 . ? C94 C95 1.379(8) . ? C94 H94A 0.9300 . ? C95 C96 1.382(8) . ? C95 H95A 0.9300 . ? C96 H96A 0.9300 . ? 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 P2 87.25(13) . . ? C1 Rh1 P1 80.75(13) . . ? P2 Rh1 P1 148.79(4) . . ? C1 Rh1 P3 82.70(12) . . ? P2 Rh1 P3 100.63(4) . . ? P1 Rh1 P3 106.20(4) . . ? C1 Rh1 Cl1 175.69(13) . . ? P2 Rh1 Cl1 96.69(4) . . ? P1 Rh1 Cl1 94.95(4) . . ? P3 Rh1 Cl1 98.24(4) . . ? N1 P1 C51 103.6(2) . . ? N1 P1 C41 104.3(2) . . ? C51 P1 C41 103.2(2) . . ? N1 P1 Rh1 97.93(14) . . ? C51 P1 Rh1 128.71(16) . . ? C41 P1 Rh1 115.70(18) . . ? C10 C1 C30 111.6(4) . . ? C10 C1 C20 112.8(3) . . ? C30 C1 C20 109.3(4) . . ? C10 C1 Rh1 104.9(3) . . ? C30 C1 Rh1 108.3(3) . . ? C20 C1 Rh1 109.7(3) . . ? C13 N1 C10 107.7(4) . . ? C13 N1 P1 131.2(3) . . ? C10 N1 P1 117.2(3) . . ? N2 P2 C61 108.9(2) . . ? N2 P2 C71 100.7(2) . . ? C61 P2 C71 104.1(2) . . ? N2 P2 Rh1 100.68(15) . . ? C61 P2 Rh1 118.87(15) . . ? C71 P2 Rh1 121.47(16) . . ? C23 N2 C20 108.2(4) . . ? C23 N2 P2 130.7(4) . . ? C20 N2 P2 119.9(3) . . ? N3 P3 C91 99.7(2) . . ? N3 P3 C81 109.1(2) . . ? C91 P3 C81 103.2(2) . . ? N3 P3 Rh1 98.97(13) . . ? C91 P3 Rh1 129.16(16) . . ? C81 P3 Rh1 114.38(16) . . ? C33 N3 C30 107.9(4) . . ? C33 N3 P3 131.3(3) . . ? C30 N3 P3 118.6(3) . . ? Cl5 C3 Cl2 112.7(6) . . ? Cl5 C3 Cl3 111.2(5) . . ? Cl2 C3 Cl3 110.7(4) . . ? Cl5 C3 H3A 107.4 . . ? Cl2 C3 H3A 107.4 . . ? Cl3 C3 H3A 107.4 . . ? Cl4 C4 Cl6 111.6(4) . . ? Cl4 C4 Cl7 109.1(4) . . ? Cl6 C4 Cl7 110.8(4) . . ? Cl4 C4 H4A 108.4 . . ? Cl6 C4 H4A 108.4 . . ? Cl7 C4 H4A 108.4 . . ? C11 C10 N1 110.1(4) . . ? C11 C10 C1 135.5(4) . . ? N1 C10 C1 114.3(4) . . ? C10 C11 C12 106.2(4) . . ? C10 C11 C18 131.5(4) . . ? C12 C11 C18 122.3(4) . . ? C13 C12 C17 119.5(4) . . ? C13 C12 C11 108.4(4) . . ? C17 C12 C11 132.0(5) . . ? C14 C13 N1 130.6(4) . . ? C14 C13 C12 121.9(4) . . ? N1 C13 C12 107.6(4) . . ? C13 C14 C15 117.5(5) . . ? C13 C14 H14A 121.2 . . ? C15 C14 H14A 121.2 . . ? C16 C15 C14 121.3(5) . . ? C16 C15 H15A 119.3 . . ? C14 C15 H15A 119.3 . . ? C17 C16 C15 121.4(4) . . ? C17 C16 H16A 119.3 . . ? C15 C16 H16A 119.3 . . ? C16 C17 C12 118.3(5) . . ? C16 C17 H17A 120.8 . . ? C12 C17 H17A 120.8 . . ? C11 C18 H18A 109.5 . . ? C11 C18 H18B 109.5 . . ? H18A C18 H18B 109.5 . . ? C11 C18 H18C 109.5 . . ? H18A C18 H18C 109.5 . . ? H18B C18 H18C 109.5 . . ? C21 C20 N2 109.2(4) . . ? C21 C20 C1 132.9(4) . . ? N2 C20 C1 117.4(4) . . ? C20 C21 C22 107.2(4) . . ? C20 C21 C28 128.0(4) . . ? C22 C21 C28 124.5(4) . . ? C23 C22 C27 118.1(5) . . ? C23 C22 C21 108.3(4) . . ? C27 C22 C21 133.5(5) . . ? N2 C23 C22 106.8(4) . . ? N2 C23 C24 130.1(5) . . ? C22 C23 C24 123.0(4) . . ? C25 C24 C23 117.2(5) . . ? C25 C24 H24A 121.4 . . ? C23 C24 H24A 121.4 . . ? C24 C25 C26 120.6(5) . . ? C24 C25 H25A 119.7 . . ? C26 C25 H25A 119.7 . . ? C27 C26 C25 122.1(5) . . ? C27 C26 H26A 119.0 . . ? C25 C26 H26A 119.0 . . ? C26 C27 C22 118.9(5) . . ? C26 C27 H27A 120.5 . . ? C22 C27 H27A 120.5 . . ? C21 C28 H28A 109.5 . . ? C21 C28 H28B 109.5 . . ? H28A C28 H28B 109.5 . . ? C21 C28 H28C 109.5 . . ? H28A C28 H28C 109.5 . . ? H28B C28 H28C 109.5 . . ? C31 C30 N3 108.8(4) . . ? C31 C30 C1 134.8(4) . . ? N3 C30 C1 115.6(4) . . ? C30 C31 C32 107.8(4) . . ? C30 C31 C38 130.6(4) . . ? C32 C31 C38 121.5(4) . . ? C37 C32 C33 119.2(5) . . ? C37 C32 C31 133.2(5) . . ? C33 C32 C31 107.5(4) . . ? N3 C33 C32 107.7(4) . . ? N3 C33 C34 130.0(4) . . ? C32 C33 C34 122.2(5) . . ? C35 C34 C33 116.9(5) . . ? C35 C34 H34A 121.5 . . ? C33 C34 H34A 121.5 . . ? C34 C35 C36 121.7(5) . . ? C34 C35 H35A 119.2 . . ? C36 C35 H35A 119.2 . . ? C37 C36 C35 120.5(5) . . ? C37 C36 H36A 119.7 . . ? C35 C36 H36A 119.7 . . ? C36 C37 C32 119.3(5) . . ? C36 C37 H37A 120.3 . . ? C32 C37 H37A 120.3 . . ? C31 C38 H38A 109.5 . . ? C31 C38 H38B 109.5 . . ? H38A C38 H38B 109.5 . . ? C31 C38 H38C 109.5 . . ? H38A C38 H38C 109.5 . . ? H38B C38 H38C 109.5 . . ? C42 C41 C46 117.9(5) . . ? C42 C41 P1 119.4(4) . . ? C46 C41 P1 122.7(4) . . ? C41 C42 C43 120.9(6) . . ? C41 C42 H42A 119.5 . . ? C43 C42 H42A 119.5 . . ? C44 C43 C42 119.6(6) . . ? C44 C43 H43A 120.2 . . ? C42 C43 H43A 120.2 . . ? C45 C44 C43 120.2(6) . . ? C45 C44 H44A 119.9 . . ? C43 C44 H44A 119.9 . . ? C44 C45 C46 120.7(6) . . ? C44 C45 H45A 119.7 . . ? C46 C45 H45A 119.7 . . ? C45 C46 C41 120.7(6) . . ? C45 C46 H46A 119.7 . . ? C41 C46 H46A 119.7 . . ? C56 C51 C52 118.9(5) . . ? C56 C51 P1 118.8(4) . . ? C52 C51 P1 122.3(4) . . ? C53 C52 C51 120.9(5) . . ? C53 C52 H52A 119.5 . . ? C51 C52 H52A 119.5 . . ? C52 C53 C54 120.0(6) . . ? C52 C53 H53A 120.0 . . ? C54 C53 H53A 120.0 . . ? C53 C54 C55 120.0(6) . . ? C53 C54 H54A 120.0 . . ? C55 C54 H54A 120.0 . . ? C54 C55 C56 119.9(5) . . ? C54 C55 H55A 120.1 . . ? C56 C55 H55A 120.1 . . ? C51 C56 C55 120.3(6) . . ? C51 C56 H56A 119.9 . . ? C55 C56 H56A 119.9 . . ? C66 C61 C62 120.4(4) . . ? C66 C61 P2 124.3(4) . . ? C62 C61 P2 115.2(4) . . ? C63 C62 C61 119.4(5) . . ? C63 C62 H62A 120.3 . . ? C61 C62 H62A 120.3 . . ? C62 C63 C64 120.0(5) . . ? C62 C63 H63A 120.0 . . ? C64 C63 H63A 120.0 . . ? C65 C64 C63 120.7(5) . . ? C65 C64 H64A 119.6 . . ? C63 C64 H64A 119.6 . . ? C64 C65 C66 119.9(5) . . ? C64 C65 H65A 120.1 . . ? C66 C65 H65A 120.1 . . ? C61 C66 C65 119.5(5) . . ? C61 C66 H66A 120.3 . . ? C65 C66 H66A 120.3 . . ? C72 C71 C76 119.1(4) . . ? C72 C71 P2 124.2(4) . . ? C76 C71 P2 116.5(4) . . ? C71 C72 C73 120.9(5) . . ? C71 C72 H72A 119.5 . . ? C73 C72 H72A 119.5 . . ? C74 C73 C72 119.7(5) . . ? C74 C73 H73A 120.2 . . ? C72 C73 H73A 120.2 . . ? C73 C74 C75 120.0(5) . . ? C73 C74 H74A 120.0 . . ? C75 C74 H74A 120.0 . . ? C76 C75 C74 119.8(5) . . ? C76 C75 H75A 120.1 . . ? C74 C75 H75A 120.1 . . ? C75 C76 C71 120.4(5) . . ? C75 C76 H76A 119.8 . . ? C71 C76 H76A 119.8 . . ? C82 C81 C86 118.7(4) . . ? C82 C81 P3 125.4(4) . . ? C86 C81 P3 115.9(4) . . ? C83 C82 C81 120.4(5) . . ? C83 C82 H82A 119.8 . . ? C81 C82 H82A 119.8 . . ? C82 C83 C84 120.6(5) . . ? C82 C83 H83A 119.7 . . ? C84 C83 H83A 119.7 . . ? C85 C84 C83 119.5(5) . . ? C85 C84 H84A 120.2 . . ? C83 C84 H84A 120.2 . . ? C84 C85 C86 119.8(5) . . ? C84 C85 H85A 120.1 . . ? C86 C85 H85A 120.1 . . ? C85 C86 C81 120.9(5) . . ? C85 C86 H86A 119.5 . . ? C81 C86 H86A 119.5 . . ? C92 C91 C96 117.2(5) . . ? C92 C91 P3 124.4(4) . . ? C96 C91 P3 118.4(3) . . ? C93 C92 C91 120.8(5) . . ? C93 C92 H92A 119.6 . . ? C91 C92 H92A 119.6 . . ? C94 C93 C92 120.9(5) . . ? C94 C93 H93A 119.6 . . ? C92 C93 H93A 119.6 . . ? C93 C94 C95 120.0(5) . . ? C93 C94 H94A 120.0 . . ? C95 C94 H94A 120.0 . . ? C94 C95 C96 120.4(5) . . ? C94 C95 H95A 119.8 . . ? C96 C95 H95A 119.8 . . ? C95 C96 C91 120.8(5) . . ? C95 C96 H96A 119.6 . . ? C91 C96 H96A 119.6 . . ? 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 P1 N1 -30.68(18) . . . . ? P2 Rh1 P1 N1 38.05(17) . . . . ? P3 Rh1 P1 N1 -110.23(14) . . . . ? Cl1 Rh1 P1 N1 149.70(14) . . . . ? C1 Rh1 P1 C51 83.9(2) . . . . ? P2 Rh1 P1 C51 152.6(2) . . . . ? P3 Rh1 P1 C51 4.3(2) . . . . ? Cl1 Rh1 P1 C51 -95.7(2) . . . . ? C1 Rh1 P1 C41 -140.8(2) . . . . ? P2 Rh1 P1 C41 -72.08(19) . . . . ? P3 Rh1 P1 C41 139.64(17) . . . . ? Cl1 Rh1 P1 C41 39.57(17) . . . . ? P2 Rh1 C1 C10 -106.6(3) . . . . ? P1 Rh1 C1 C10 44.5(3) . . . . ? P3 Rh1 C1 C10 152.3(3) . . . . ? Cl1 Rh1 C1 C10 49.5(17) . . . . ? P2 Rh1 C1 C30 134.1(3) . . . . ? P1 Rh1 C1 C30 -74.9(3) . . . . ? P3 Rh1 C1 C30 33.0(3) . . . . ? Cl1 Rh1 C1 C30 -69.8(17) . . . . ? P2 Rh1 C1 C20 14.8(3) . . . . ? P1 Rh1 C1 C20 165.9(3) . . . . ? P3 Rh1 C1 C20 -86.3(3) . . . . ? Cl1 Rh1 C1 C20 170.9(14) . . . . ? C51 P1 N1 C13 85.9(5) . . . . ? C41 P1 N1 C13 -21.8(5) . . . . ? Rh1 P1 N1 C13 -141.0(4) . . . . ? C51 P1 N1 C10 -119.2(4) . . . . ? C41 P1 N1 C10 133.1(4) . . . . ? Rh1 P1 N1 C10 13.9(4) . . . . ? C1 Rh1 P2 N2 -3.82(18) . . . . ? P1 Rh1 P2 N2 -70.87(17) . . . . ? P3 Rh1 P2 N2 78.22(14) . . . . ? Cl1 Rh1 P2 N2 177.94(14) . . . . ? C1 Rh1 P2 C61 -122.5(2) . . . . ? P1 Rh1 P2 C61 170.45(18) . . . . ? P3 Rh1 P2 C61 -40.47(19) . . . . ? Cl1 Rh1 P2 C61 59.25(18) . . . . ? C1 Rh1 P2 C71 105.9(2) . . . . ? P1 Rh1 P2 C71 38.8(2) . . . . ? P3 Rh1 P2 C71 -172.08(18) . . . . ? Cl1 Rh1 P2 C71 -72.36(18) . . . . ? C61 P2 N2 C23 -49.5(5) . . . . ? C71 P2 N2 C23 59.6(5) . . . . ? Rh1 P2 N2 C23 -175.2(4) . . . . ? C61 P2 N2 C20 116.5(4) . . . . ? C71 P2 N2 C20 -134.4(4) . . . . ? Rh1 P2 N2 C20 -9.2(4) . . . . ? C1 Rh1 P3 N3 -17.03(19) . . . . ? P2 Rh1 P3 N3 -102.82(14) . . . . ? P1 Rh1 P3 N3 61.08(15) . . . . ? Cl1 Rh1 P3 N3 158.72(14) . . . . ? C1 Rh1 P3 C91 93.4(2) . . . . ? P2 Rh1 P3 C91 7.6(2) . . . . ? P1 Rh1 P3 C91 171.5(2) . . . . ? Cl1 Rh1 P3 C91 -90.9(2) . . . . ? C1 Rh1 P3 C81 -132.8(2) . . . . ? P2 Rh1 P3 C81 141.39(18) . . . . ? P1 Rh1 P3 C81 -54.71(18) . . . . ? Cl1 Rh1 P3 C81 42.93(18) . . . . ? C91 P3 N3 C33 64.9(5) . . . . ? C81 P3 N3 C33 -42.8(5) . . . . ? Rh1 P3 N3 C33 -162.6(4) . . . . ? C91 P3 N3 C30 -134.1(4) . . . . ? C81 P3 N3 C30 118.2(4) . . . . ? Rh1 P3 N3 C30 -1.6(4) . . . . ? C13 N1 C10 C11 0.8(5) . . . . ? P1 N1 C10 C11 -159.5(3) . . . . ? C13 N1 C10 C1 -177.8(4) . . . . ? P1 N1 C10 C1 21.8(5) . . . . ? C30 C1 C10 C11 -110.6(6) . . . . ? C20 C1 C10 C11 12.9(8) . . . . ? Rh1 C1 C10 C11 132.3(5) . . . . ? C30 C1 C10 N1 67.6(5) . . . . ? C20 C1 C10 N1 -168.9(4) . . . . ? Rh1 C1 C10 N1 -49.5(4) . . . . ? N1 C10 C11 C12 -0.6(5) . . . . ? C1 C10 C11 C12 177.6(5) . . . . ? N1 C10 C11 C18 -178.7(5) . . . . ? C1 C10 C11 C18 -0.4(10) . . . . ? C10 C11 C12 C13 0.2(5) . . . . ? C18 C11 C12 C13 178.5(5) . . . . ? C10 C11 C12 C17 -178.9(5) . . . . ? C18 C11 C12 C17 -0.6(9) . . . . ? C10 N1 C13 C14 178.8(5) . . . . ? P1 N1 C13 C14 -24.5(8) . . . . ? C10 N1 C13 C12 -0.7(5) . . . . ? P1 N1 C13 C12 155.9(4) . . . . ? C17 C12 C13 C14 0.0(8) . . . . ? C11 C12 C13 C14 -179.3(5) . . . . ? C17 C12 C13 N1 179.5(4) . . . . ? C11 C12 C13 N1 0.3(5) . . . . ? N1 C13 C14 C15 178.6(5) . . . . ? C12 C13 C14 C15 -1.9(8) . . . . ? C13 C14 C15 C16 2.0(9) . . . . ? C14 C15 C16 C17 -0.1(9) . . . . ? C15 C16 C17 C12 -1.9(8) . . . . ? C13 C12 C17 C16 2.0(7) . . . . ? C11 C12 C17 C16 -179.0(5) . . . . ? C23 N2 C20 C21 5.4(5) . . . . ? P2 N2 C20 C21 -163.5(3) . . . . ? C23 N2 C20 C1 -167.6(4) . . . . ? P2 N2 C20 C1 23.5(5) . . . . ? C10 C1 C20 C21 -79.3(6) . . . . ? C30 C1 C20 C21 45.5(6) . . . . ? Rh1 C1 C20 C21 164.1(4) . . . . ? C10 C1 C20 N2 91.6(5) . . . . ? C30 C1 C20 N2 -143.6(4) . . . . ? Rh1 C1 C20 N2 -24.9(5) . . . . ? N2 C20 C21 C22 -3.8(5) . . . . ? C1 C20 C21 C22 167.7(4) . . . . ? N2 C20 C21 C28 -177.5(4) . . . . ? C1 C20 C21 C28 -6.0(8) . . . . ? C20 C21 C22 C23 0.9(5) . . . . ? C28 C21 C22 C23 174.9(4) . . . . ? C20 C21 C22 C27 -174.9(5) . . . . ? C28 C21 C22 C27 -0.9(8) . . . . ? C20 N2 C23 C22 -4.6(5) . . . . ? P2 N2 C23 C22 162.6(3) . . . . ? C20 N2 C23 C24 173.3(5) . . . . ? P2 N2 C23 C24 -19.4(8) . . . . ? C27 C22 C23 N2 178.9(4) . . . . ? C21 C22 C23 N2 2.3(5) . . . . ? C27 C22 C23 C24 0.7(7) . . . . ? C21 C22 C23 C24 -175.8(4) . . . . ? N2 C23 C24 C25 -176.8(5) . . . . ? C22 C23 C24 C25 0.9(7) . . . . ? C23 C24 C25 C26 -1.1(8) . . . . ? C24 C25 C26 C27 -0.2(8) . . . . ? C25 C26 C27 C22 1.9(8) . . . . ? C23 C22 C27 C26 -2.1(7) . . . . ? C21 C22 C27 C26 173.4(5) . . . . ? C33 N3 C30 C31 6.2(5) . . . . ? P3 N3 C30 C31 -158.9(3) . . . . ? C33 N3 C30 C1 -164.7(4) . . . . ? P3 N3 C30 C1 30.2(5) . . . . ? C10 C1 C30 C31 32.2(7) . . . . ? C20 C1 C30 C31 -93.2(6) . . . . ? Rh1 C1 C30 C31 147.3(5) . . . . ? C10 C1 C30 N3 -159.9(4) . . . . ? C20 C1 C30 N3 74.6(5) . . . . ? Rh1 C1 C30 N3 -44.9(4) . . . . ? N3 C30 C31 C32 -4.7(5) . . . . ? C1 C30 C31 C32 163.8(5) . . . . ? N3 C30 C31 C38 179.5(5) . . . . ? C1 C30 C31 C38 -12.1(10) . . . . ? C30 C31 C32 C37 -175.5(6) . . . . ? C38 C31 C32 C37 0.8(9) . . . . ? C30 C31 C32 C33 1.5(6) . . . . ? C38 C31 C32 C33 177.8(5) . . . . ? C30 N3 C33 C32 -5.1(5) . . . . ? P3 N3 C33 C32 157.4(4) . . . . ? C30 N3 C33 C34 171.1(5) . . . . ? P3 N3 C33 C34 -26.4(8) . . . . ? C37 C32 C33 N3 179.8(5) . . . . ? C31 C32 C33 N3 2.3(6) . . . . ? C37 C32 C33 C34 3.2(8) . . . . ? C31 C32 C33 C34 -174.2(5) . . . . ? N3 C33 C34 C35 -177.4(5) . . . . ? C32 C33 C34 C35 -1.7(8) . . . . ? C33 C34 C35 C36 -0.3(8) . . . . ? C34 C35 C36 C37 0.7(9) . . . . ? C35 C36 C37 C32 0.9(9) . . . . ? C33 C32 C37 C36 -2.7(8) . . . . ? C31 C32 C37 C36 173.9(6) . . . . ? N1 P1 C41 C42 -61.3(5) . . . . ? C51 P1 C41 C42 -169.3(4) . . . . ? Rh1 P1 C41 C42 45.0(5) . . . . ? N1 P1 C41 C46 118.6(4) . . . . ? C51 P1 C41 C46 10.6(5) . . . . ? Rh1 P1 C41 C46 -135.1(4) . . . . ? C46 C41 C42 C43 -1.8(9) . . . . ? P1 C41 C42 C43 178.0(5) . . . . ? C41 C42 C43 C44 2.7(10) . . . . ? C42 C43 C44 C45 -2.7(10) . . . . ? C43 C44 C45 C46 1.8(10) . . . . ? C44 C45 C46 C41 -0.9(9) . . . . ? C42 C41 C46 C45 0.9(8) . . . . ? P1 C41 C46 C45 -178.9(4) . . . . ? N1 P1 C51 C56 173.3(4) . . . . ? C41 P1 C51 C56 -78.2(4) . . . . ? Rh1 P1 C51 C56 61.2(5) . . . . ? N1 P1 C51 C52 -7.7(5) . . . . ? C41 P1 C51 C52 100.9(5) . . . . ? Rh1 P1 C51 C52 -119.7(4) . . . . ? C56 C51 C52 C53 -0.1(8) . . . . ? P1 C51 C52 C53 -179.1(5) . . . . ? C51 C52 C53 C54 1.7(10) . . . . ? C52 C53 C54 C55 -1.8(10) . . . . ? C53 C54 C55 C56 0.2(10) . . . . ? C52 C51 C56 C55 -1.4(8) . . . . ? P1 C51 C56 C55 177.6(4) . . . . ? C54 C55 C56 C51 1.4(9) . . . . ? N2 P2 C61 C66 1.8(5) . . . . ? C71 P2 C61 C66 -105.0(4) . . . . ? Rh1 P2 C61 C66 116.2(4) . . . . ? N2 P2 C61 C62 -175.8(3) . . . . ? C71 P2 C61 C62 77.4(4) . . . . ? Rh1 P2 C61 C62 -61.4(4) . . . . ? C66 C61 C62 C63 1.8(7) . . . . ? P2 C61 C62 C63 179.5(4) . . . . ? C61 C62 C63 C64 0.2(7) . . . . ? C62 C63 C64 C65 -2.4(8) . . . . ? C63 C64 C65 C66 2.7(9) . . . . ? C62 C61 C66 C65 -1.6(8) . . . . ? P2 C61 C66 C65 -179.0(4) . . . . ? C64 C65 C66 C61 -0.7(8) . . . . ? N2 P2 C71 C72 -121.9(4) . . . . ? C61 P2 C71 C72 -9.2(5) . . . . ? Rh1 P2 C71 C72 128.4(4) . . . . ? N2 P2 C71 C76 52.6(4) . . . . ? C61 P2 C71 C76 165.3(4) . . . . ? Rh1 P2 C71 C76 -57.1(4) . . . . ? C76 C71 C72 C73 0.7(8) . . . . ? P2 C71 C72 C73 175.1(4) . . . . ? C71 C72 C73 C74 -0.6(8) . . . . ? C72 C73 C74 C75 -0.7(8) . . . . ? C73 C74 C75 C76 1.7(8) . . . . ? C74 C75 C76 C71 -1.6(8) . . . . ? C72 C71 C76 C75 0.3(8) . . . . ? P2 C71 C76 C75 -174.5(4) . . . . ? N3 P3 C81 C82 1.6(5) . . . . ? C91 P3 C81 C82 -103.7(4) . . . . ? Rh1 P3 C81 C82 111.4(4) . . . . ? N3 P3 C81 C86 -175.3(3) . . . . ? C91 P3 C81 C86 79.4(4) . . . . ? Rh1 P3 C81 C86 -65.6(4) . . . . ? C86 C81 C82 C83 -0.1(7) . . . . ? P3 C81 C82 C83 -177.0(4) . . . . ? C81 C82 C83 C84 0.1(8) . . . . ? C82 C83 C84 C85 -0.2(8) . . . . ? C83 C84 C85 C86 0.4(8) . . . . ? C84 C85 C86 C81 -0.5(8) . . . . ? C82 C81 C86 C85 0.3(7) . . . . ? P3 C81 C86 C85 177.5(4) . . . . ? N3 P3 C91 C92 -141.0(5) . . . . ? C81 P3 C91 C92 -28.6(5) . . . . ? Rh1 P3 C91 C92 108.9(4) . . . . ? N3 P3 C91 C96 35.9(4) . . . . ? C81 P3 C91 C96 148.3(4) . . . . ? Rh1 P3 C91 C96 -74.1(5) . . . . ? C96 C91 C92 C93 -1.4(9) . . . . ? P3 C91 C92 C93 175.6(5) . . . . ? C91 C92 C93 C94 0.8(10) . . . . ? C92 C93 C94 C95 0.0(11) . . . . ? C93 C94 C95 C96 -0.2(11) . . . . ? C94 C95 C96 C91 -0.4(10) . . . . ? C92 C91 C96 C95 1.2(8) . . . . ? P3 C91 C96 C95 -176.0(5) . . . . ? _diffrn_measured_fraction_theta_max 0.982 _diffrn_reflns_theta_full 27.50 _diffrn_measured_fraction_theta_full 0.982 _refine_diff_density_max 2.669 _refine_diff_density_min -1.387 _refine_diff_density_rms 0.169 # Attachment '6Rev.cif' data_shelxl2 _database_code_depnum_ccdc_archive 'CCDC 697120' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C66 H54 N3 O2 P3 Rh, B F4, 3(H2O)' _chemical_formula_sum 'C66 H60 B Cl0 F4 N3 O5 P3 Rh' _chemical_formula_weight 1257.75 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' 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' B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Rh Rh -1.1178 0.9187 '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' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting triclinic _symmetry_space_group_name_H-M P-1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 11.0670(3) _cell_length_b 13.3740(4) _cell_length_c 20.8830(6) _cell_angle_alpha 101.7370(17) _cell_angle_beta 92.4900(16) _cell_angle_gamma 90.3160(13) _cell_volume 3023.09(15) _cell_formula_units_Z 2 _cell_measurement_temperature 298(2) _cell_measurement_reflns_used 14051 _cell_measurement_theta_min 0.998 _cell_measurement_theta_max 27.485 _exptl_crystal_description prismatic _exptl_crystal_colour orange _exptl_crystal_size_max 0.24 _exptl_crystal_size_mid 0.22 _exptl_crystal_size_min 0.20 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.375 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1284 _exptl_absorpt_coefficient_mu 0.426 _exptl_absorpt_correction_type none _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 298(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 ? _diffrn_measurement_method ? _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 10301 _diffrn_reflns_av_R_equivalents 0.1940 _diffrn_reflns_av_sigmaI/netI 0.1024 _diffrn_reflns_limit_h_min -12 _diffrn_reflns_limit_h_max 13 _diffrn_reflns_limit_k_min -15 _diffrn_reflns_limit_k_max 10 _diffrn_reflns_limit_l_min -20 _diffrn_reflns_limit_l_max 24 _diffrn_reflns_theta_min 1.56 _diffrn_reflns_theta_max 24.71 _reflns_number_total 7530 _reflns_number_gt 5973 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Collect(Nonius BV, 1997-2000)' _computing_cell_refinement 'Denzo & Scalepack (Otwinowski & Minor 1997)' _computing_data_reduction 'Denzo & Scalepack (Otwinowski & Minor 1997)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics SHELXTL _computing_publication_material SHELXTL _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. O4 was refined isotropically PLAT306 ALERT 2 A Isolated Oxygen Atom (H-atoms Missing ?) ....... O4 No hydrogen atoms are found at geometrically idealized position PLAT306 ALERT 2 A Isolated Oxygen Atom (H-atoms Missing ?) ....... O5 No hydrogen atoms are found at geometrically idealized position PLAT306 ALERT 2 A Isolated Oxygen Atom (H-atoms Missing ?) ....... O6 No hydrogen atoms are found at geometrically idealized position Nevertheless, the hydrogen atoms are included in the chemical formula. ; _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^)+(0.2000P)^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_number_reflns 7530 _refine_ls_number_parameters 735 _refine_ls_number_restraints 741 _refine_ls_R_factor_all 0.1598 _refine_ls_R_factor_gt 0.1223 _refine_ls_wR_factor_ref 0.3831 _refine_ls_wR_factor_gt 0.3216 _refine_ls_goodness_of_fit_ref 1.690 _refine_ls_restrained_S_all 1.625 _refine_ls_shift/su_max 0.002 _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 0.5768(8) 0.2910(8) 0.7617(4) 0.0246(17) Uani 1 1 d U . . Rh1 Rh 0.40535(7) 0.23564(5) 0.72337(3) 0.0236(3) Uani 1 1 d U . . P3 P 0.3453(2) 0.3777(2) 0.79065(11) 0.0271(6) Uani 1 1 d U . . O1 O 0.2488(7) 0.1499(6) 0.6699(4) 0.0373(17) Uani 1 1 d U . . N3 N 0.4714(8) 0.4486(7) 0.8067(4) 0.0304(17) Uani 1 1 d U . . O2 O 0.4317(7) 0.0981(6) 0.6510(3) 0.0354(16) Uani 1 1 d U . . P2 P 0.4735(2) 0.3090(2) 0.63354(12) 0.0292(6) Uani 1 1 d U . . N2 N 0.6185(8) 0.2773(6) 0.6452(4) 0.0268(16) Uani 1 1 d U . . P1 P 0.4082(2) 0.1322(2) 0.79707(11) 0.0257(6) Uani 1 1 d U . . N1 N 0.5374(8) 0.1714(7) 0.8407(4) 0.0295(17) Uani 1 1 d U . . C30 C 0.5809(9) 0.4059(8) 0.7763(4) 0.0297(19) Uani 1 1 d U . . C31 C 0.6605(10) 0.4800(8) 0.7764(5) 0.033(2) Uani 1 1 d U . . C32 C 0.6133(11) 0.5750(9) 0.8134(5) 0.037(2) Uani 1 1 d U . . C33 C 0.4993(10) 0.5532(9) 0.8343(5) 0.036(2) Uani 1 1 d U . . C34 C 0.4334(13) 0.6276(9) 0.8740(6) 0.047(3) Uani 1 1 d U . . H34 H 0.3563 0.6126 0.8858 0.057 Uiso 1 1 calc R . . C35 C 0.4816(13) 0.7207(10) 0.8950(7) 0.057(3) Uani 1 1 d U . . H35 H 0.4393 0.7703 0.9227 0.069 Uiso 1 1 calc R . . C36 C 0.5959(14) 0.7436(10) 0.8753(7) 0.060(3) Uani 1 1 d U . . H36 H 0.6282 0.8091 0.8897 0.072 Uiso 1 1 calc R . . C37 C 0.6614(12) 0.6717(9) 0.8354(7) 0.049(3) Uani 1 1 d U . . H37 H 0.7376 0.6882 0.8232 0.059 Uiso 1 1 calc R . . C38 C 0.7861(11) 0.4740(10) 0.7521(7) 0.051(3) Uani 1 1 d U . . H38A H 0.8001 0.4060 0.7283 0.077 Uiso 1 1 calc R . . H38B H 0.8434 0.4907 0.7886 0.077 Uiso 1 1 calc R . . H38C H 0.7952 0.5215 0.7237 0.077 Uiso 1 1 calc R . . C20 C 0.6546(9) 0.2471(8) 0.7055(4) 0.0268(19) Uani 1 1 d U . . C21 C 0.7604(10) 0.1917(8) 0.6979(5) 0.033(2) Uani 1 1 d U . . C22 C 0.7928(11) 0.1905(10) 0.6311(5) 0.044(3) Uani 1 1 d U . . C23 C 0.7143(10) 0.2425(8) 0.6021(5) 0.030(2) Uani 1 1 d U . . C24 C 0.7279(11) 0.2650(10) 0.5396(5) 0.042(3) Uani 1 1 d U . . H24 H 0.6735 0.3058 0.5218 0.050 Uiso 1 1 calc R . . C25 C 0.8275(14) 0.2224(12) 0.5061(6) 0.060(3) Uani 1 1 d U . . H25 H 0.8399 0.2332 0.4643 0.072 Uiso 1 1 calc R . . C26 C 0.9059(13) 0.1656(11) 0.5341(7) 0.056(3) Uani 1 1 d U . . H26 H 0.9706 0.1364 0.5105 0.067 Uiso 1 1 calc R . . C27 C 0.8926(13) 0.1480(12) 0.6014(7) 0.059(3) Uani 1 1 d U . . H27 H 0.9480 0.1110 0.6216 0.071 Uiso 1 1 calc R . . C28 C 0.8321(13) 0.1441(12) 0.7424(6) 0.057(4) Uani 1 1 d U . . H28A H 0.7798 0.1088 0.7662 0.086 Uiso 1 1 calc R . . H28B H 0.8782 0.1955 0.7726 0.086 Uiso 1 1 calc R . . H28C H 0.8861 0.0963 0.7181 0.086 Uiso 1 1 calc R . . C10 C 0.6081(9) 0.2538(8) 0.8252(4) 0.0288(19) Uani 1 1 d U . . C11 C 0.7030(10) 0.2749(9) 0.8718(5) 0.032(2) Uani 1 1 d U . . C12 C 0.6942(10) 0.2062(9) 0.9143(5) 0.034(2) Uani 1 1 d U . . C13 C 0.5947(10) 0.1396(9) 0.8945(5) 0.033(2) Uani 1 1 d U . . C14 C 0.5682(11) 0.0590(11) 0.9225(5) 0.043(3) Uani 1 1 d U . . H14 H 0.5018 0.0161 0.9084 0.052 Uiso 1 1 calc R . . C15 C 0.6465(12) 0.0451(11) 0.9733(5) 0.050(3) Uani 1 1 d U . . H15 H 0.6328 -0.0098 0.9933 0.060 Uiso 1 1 calc R . . C16 C 0.7403(13) 0.1068(12) 0.9947(5) 0.058(3) Uani 1 1 d U . . H16 H 0.7899 0.0940 1.0292 0.069 Uiso 1 1 calc R . . C17 C 0.7665(11) 0.1906(11) 0.9666(5) 0.044(3) Uani 1 1 d U . . H17 H 0.8311 0.2346 0.9829 0.053 Uiso 1 1 calc R . . C18 C 0.8027(14) 0.3494(12) 0.8756(7) 0.063(4) Uani 1 1 d U . . H18A H 0.8764 0.3139 0.8641 0.095 Uiso 1 1 calc R . . H18B H 0.8119 0.3889 0.9195 0.095 Uiso 1 1 calc R . . H18C H 0.7850 0.3939 0.8459 0.095 Uiso 1 1 calc R . . C91 C 0.2293(9) 0.4396(9) 0.7479(5) 0.032(2) Uani 1 1 d U . . C92 C 0.2220(12) 0.5441(10) 0.7502(6) 0.049(3) Uani 1 1 d U . . H92 H 0.2772 0.5886 0.7765 0.059 Uiso 1 1 calc R . . C93 C 0.1354(15) 0.5811(12) 0.7144(7) 0.065(4) Uani 1 1 d U . . H93 H 0.1351 0.6504 0.7136 0.078 Uiso 1 1 calc R . . C94 C 0.0447(13) 0.5153(12) 0.6779(6) 0.059(3) Uani 1 1 d U . . H94 H -0.0194 0.5419 0.6567 0.071 Uiso 1 1 calc R . . C95 C 0.0523(12) 0.4168(12) 0.6744(6) 0.054(3) Uani 1 1 d U . . H95 H -0.0043 0.3737 0.6479 0.065 Uiso 1 1 calc R . . C96 C 0.1416(10) 0.3741(10) 0.7086(6) 0.040(2) Uani 1 1 d U . . H96 H 0.1439 0.3039 0.7059 0.048 Uiso 1 1 calc R . . C81 C 0.2901(10) 0.3871(8) 0.8721(5) 0.032(2) Uani 1 1 d U . . C82 C 0.3749(11) 0.3986(9) 0.9258(5) 0.038(2) Uani 1 1 d U . . H82 H 0.4571 0.3991 0.9183 0.046 Uiso 1 1 calc R . . C83 C 0.3378(13) 0.4091(11) 0.9894(6) 0.055(3) Uani 1 1 d U . . H83 H 0.3941 0.4136 1.0242 0.066 Uiso 1 1 calc R . . C84 C 0.2174(14) 0.4127(12) 0.9996(6) 0.060(4) Uani 1 1 d U . . H84 H 0.1918 0.4247 1.0423 0.072 Uiso 1 1 calc R . . C85 C 0.1302(13) 0.3986(13) 0.9471(6) 0.062(4) Uani 1 1 d U . . H85 H 0.0482 0.3972 0.9549 0.074 Uiso 1 1 calc R . . C86 C 0.1686(10) 0.3869(10) 0.8838(5) 0.042(3) Uani 1 1 d U . . H86 H 0.1118 0.3788 0.8489 0.050 Uiso 1 1 calc R . . C61 C 0.4132(10) 0.2349(9) 0.5545(5) 0.035(2) Uani 1 1 d U . . C62 C 0.2984(12) 0.2638(11) 0.5347(6) 0.052(3) Uani 1 1 d U . . H62 H 0.2574 0.3164 0.5606 0.063 Uiso 1 1 calc R . . C63 C 0.2466(13) 0.2106(12) 0.4739(7) 0.060(4) Uani 1 1 d U . . H63 H 0.1736 0.2315 0.4575 0.072 Uiso 1 1 calc R . . C64 C 0.3048(12) 0.1282(12) 0.4397(6) 0.053(3) Uani 1 1 d U . . H64 H 0.2685 0.0906 0.4012 0.064 Uiso 1 1 calc R . . C65 C 0.4125(13) 0.1010(11) 0.4604(6) 0.052(3) Uani 1 1 d U . . H65 H 0.4507 0.0453 0.4357 0.062 Uiso 1 1 calc R . . C66 C 0.4693(13) 0.1541(9) 0.5183(5) 0.045(3) Uani 1 1 d U . . H66 H 0.5450 0.1344 0.5320 0.054 Uiso 1 1 calc R . . C71 C 0.4812(10) 0.4422(8) 0.6199(5) 0.033(2) Uani 1 1 d U . . C72 C 0.5941(12) 0.4838(9) 0.6113(6) 0.046(3) Uani 1 1 d U . . H72 H 0.6651 0.4487 0.6161 0.055 Uiso 1 1 calc R . . C73 C 0.5961(15) 0.5825(12) 0.5948(7) 0.062(3) Uani 1 1 d U . . H73 H 0.6691 0.6136 0.5891 0.074 Uiso 1 1 calc R . . C74 C 0.4916(16) 0.6292(10) 0.5876(7) 0.061(3) Uani 1 1 d U . . H74 H 0.4937 0.6916 0.5745 0.073 Uiso 1 1 calc R . . C75 C 0.3805(13) 0.5898(10) 0.5984(6) 0.055(3) Uani 1 1 d U . . H75 H 0.3122 0.6290 0.5953 0.065 Uiso 1 1 calc R . . C76 C 0.3663(12) 0.4939(10) 0.6137(6) 0.047(3) Uani 1 1 d U . . H76 H 0.2915 0.4657 0.6194 0.056 Uiso 1 1 calc R . . O3 O 1.0195(12) 0.6981(18) 0.8868(4) 0.176(11) Uani 1 1 d . . . O4 O 0.9071(13) 0.8757(11) 0.8843(7) 0.096(4) Uiso 1 1 d . . . C51 C 0.2860(10) 0.1358(9) 0.8512(5) 0.034(2) Uani 1 1 d U . . C52 C 0.2968(10) 0.1565(9) 0.9178(5) 0.035(2) Uani 1 1 d U . . H52 H 0.3723 0.1739 0.9384 0.042 Uiso 1 1 calc R . . C53 C 0.1976(11) 0.1520(11) 0.9555(6) 0.048(3) Uani 1 1 d U . . H53 H 0.2045 0.1708 1.0009 0.057 Uiso 1 1 calc R . . C54 C 0.0887(12) 0.1189(12) 0.9238(7) 0.058(3) Uani 1 1 d U . . H54 H 0.0234 0.1089 0.9485 0.069 Uiso 1 1 calc R . . C55 C 0.0738(13) 0.1005(14) 0.8581(7) 0.062(4) Uani 1 1 d U . . H55 H -0.0012 0.0796 0.8380 0.075 Uiso 1 1 calc R . . C56 C 0.1724(11) 0.1132(11) 0.8201(6) 0.048(3) Uani 1 1 d U . . H56 H 0.1619 0.1065 0.7750 0.058 Uiso 1 1 calc R . . C41 C 0.4367(8) -0.0013(5) 0.7673(4) 0.039(2) Uani 1 1 d GU . . C42 C 0.5525(7) -0.0291(6) 0.7481(4) 0.061(3) Uani 1 1 d GU . . H42A H 0.6113 0.0209 0.7483 0.073 Uiso 1 1 calc R . . C43 C 0.5803(9) -0.1317(7) 0.7284(5) 0.079(4) Uani 1 1 d GU . . H43A H 0.6578 -0.1503 0.7155 0.094 Uiso 1 1 calc R . . C44 C 0.4923(11) -0.2065(5) 0.7279(5) 0.083(4) Uani 1 1 d GU . . H44A H 0.5109 -0.2751 0.7148 0.100 Uiso 1 1 calc R . . C45 C 0.3765(10) -0.1786(6) 0.7472(6) 0.090(5) Uani 1 1 d GU . . H45A H 0.3177 -0.2286 0.7469 0.108 Uiso 1 1 calc R . . C46 C 0.3487(7) -0.0761(7) 0.7669(5) 0.067(4) Uani 1 1 d GU . . H46A H 0.2712 -0.0574 0.7798 0.081 Uiso 1 1 calc R . . C100 C 0.3209(11) 0.0837(8) 0.6406(5) 0.034(2) Uani 1 1 d U . . C101 C 0.2691(15) -0.0087(11) 0.5931(7) 0.067(5) Uani 1 1 d U . . H10A H 0.2396 0.0113 0.5537 0.100 Uiso 1 1 calc R . . H10B H 0.2037 -0.0375 0.6125 0.100 Uiso 1 1 calc R . . H10C H 0.3310 -0.0587 0.5828 0.100 Uiso 1 1 calc R . . B1 B 1.003(2) 0.1633(18) 0.3236(12) 0.089(5) Uani 1 1 d U . . F1 F 0.9361(19) 0.135(2) 0.2759(9) 0.225(10) Uani 1 1 d U . . F2 F 1.0987(18) 0.215(2) 0.3081(10) 0.223(10) Uani 1 1 d U . . F3 F 1.026(2) 0.0893(15) 0.3594(14) 0.235(10) Uani 1 1 d U . . F4 F 0.965(3) 0.2298(18) 0.3735(10) 0.253(11) Uani 1 1 d U . . O5 O 0.1261(6) 0.4946(6) 0.4868(3) 0.0373(19) 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 0.025(4) 0.026(4) 0.024(4) 0.008(3) -0.003(3) 0.001(3) Rh1 0.0322(5) 0.0180(5) 0.0219(5) 0.0075(3) -0.0024(3) 0.0002(3) P3 0.0305(14) 0.0244(13) 0.0273(12) 0.0076(11) -0.0016(9) 0.0029(11) O1 0.032(4) 0.035(4) 0.042(4) 0.004(3) -0.010(3) -0.005(3) N3 0.030(4) 0.025(4) 0.035(4) 0.004(3) 0.002(3) 0.002(3) O2 0.048(4) 0.034(4) 0.025(3) 0.005(3) 0.008(3) -0.004(3) P2 0.0361(15) 0.0265(14) 0.0269(12) 0.0102(11) 0.0012(10) 0.0017(11) N2 0.032(4) 0.023(4) 0.027(3) 0.009(3) 0.005(3) -0.001(3) P1 0.0316(14) 0.0226(13) 0.0267(11) 0.0138(10) -0.0001(9) -0.0009(10) N1 0.034(4) 0.031(4) 0.027(4) 0.013(3) -0.001(3) 0.000(3) C30 0.034(5) 0.029(4) 0.027(4) 0.009(4) 0.004(4) -0.001(3) C31 0.033(5) 0.024(4) 0.042(5) 0.008(4) 0.000(4) -0.003(4) C32 0.044(5) 0.026(4) 0.039(5) 0.003(4) -0.011(4) -0.004(4) C33 0.033(5) 0.027(5) 0.042(5) -0.002(4) -0.011(4) 0.008(4) C34 0.060(7) 0.027(5) 0.047(6) -0.009(5) -0.005(5) 0.008(5) C35 0.067(7) 0.034(6) 0.057(7) -0.019(6) -0.012(6) 0.004(6) C36 0.072(8) 0.031(6) 0.067(8) -0.010(6) -0.023(6) -0.011(6) C37 0.050(7) 0.024(5) 0.074(8) 0.013(5) -0.012(5) -0.001(4) C38 0.037(6) 0.045(7) 0.076(8) 0.021(7) 0.017(6) -0.012(5) C20 0.034(4) 0.027(5) 0.022(4) 0.011(4) -0.001(3) 0.002(4) C21 0.038(5) 0.019(5) 0.042(5) 0.005(4) 0.008(4) 0.000(4) C22 0.048(6) 0.039(6) 0.039(5) -0.004(5) 0.007(4) 0.014(5) C23 0.039(5) 0.018(5) 0.031(4) 0.001(4) 0.010(4) -0.003(4) C24 0.046(6) 0.042(7) 0.040(5) 0.014(5) 0.014(4) -0.004(5) C25 0.068(9) 0.065(9) 0.047(6) 0.005(6) 0.032(5) -0.010(6) C26 0.057(8) 0.043(7) 0.063(7) -0.006(6) 0.032(6) 0.000(5) C27 0.054(7) 0.058(9) 0.059(6) -0.005(6) 0.016(5) 0.017(6) C28 0.052(8) 0.066(9) 0.059(7) 0.023(7) 0.009(6) 0.023(7) C10 0.034(5) 0.031(5) 0.022(4) 0.010(4) -0.003(3) 0.001(4) C11 0.033(5) 0.032(5) 0.030(4) 0.003(4) -0.005(3) 0.000(4) C12 0.032(5) 0.043(6) 0.026(4) 0.009(4) -0.001(3) 0.006(4) C13 0.040(5) 0.039(5) 0.025(4) 0.015(4) 0.005(3) 0.006(4) C14 0.040(6) 0.056(7) 0.043(5) 0.030(5) 0.002(4) 0.004(5) C15 0.058(7) 0.062(7) 0.040(6) 0.032(5) 0.007(5) 0.021(5) C16 0.069(8) 0.080(9) 0.030(5) 0.026(6) -0.005(5) 0.008(6) C17 0.034(6) 0.065(8) 0.038(5) 0.020(5) 0.001(4) 0.011(5) C18 0.077(10) 0.054(8) 0.062(8) 0.024(7) -0.025(7) -0.034(7) C91 0.026(5) 0.038(5) 0.036(5) 0.019(4) -0.001(3) 0.001(4) C92 0.046(7) 0.039(5) 0.062(7) 0.010(6) -0.017(5) 0.009(5) C93 0.074(10) 0.050(7) 0.079(9) 0.038(7) -0.021(6) 0.005(6) C94 0.061(8) 0.070(7) 0.051(7) 0.024(6) -0.012(5) 0.023(6) C95 0.046(7) 0.065(7) 0.049(6) 0.009(6) -0.011(5) 0.005(6) C96 0.024(5) 0.040(6) 0.057(6) 0.009(5) -0.004(4) 0.001(4) C81 0.038(5) 0.028(5) 0.031(4) 0.007(4) 0.002(3) -0.003(4) C82 0.049(6) 0.034(6) 0.031(4) 0.003(5) -0.003(4) -0.006(5) C83 0.074(7) 0.058(8) 0.028(5) 0.000(6) -0.002(5) -0.001(7) C84 0.077(8) 0.070(9) 0.030(5) 0.004(6) 0.016(5) -0.006(8) C85 0.053(7) 0.081(10) 0.050(6) 0.009(7) 0.014(5) -0.001(8) C86 0.035(5) 0.047(7) 0.043(5) 0.009(5) 0.004(4) 0.002(5) C61 0.044(6) 0.031(5) 0.029(4) 0.007(4) -0.001(4) 0.001(4) C62 0.048(7) 0.053(8) 0.050(6) -0.001(6) -0.008(5) 0.009(6) C63 0.057(8) 0.061(9) 0.057(7) 0.003(6) -0.022(5) -0.005(6) C64 0.053(7) 0.060(8) 0.041(6) -0.001(5) -0.001(5) -0.022(6) C65 0.064(7) 0.044(7) 0.042(6) -0.006(5) 0.011(5) -0.004(6) C66 0.065(7) 0.035(6) 0.035(5) 0.008(4) -0.001(4) 0.011(5) C71 0.036(5) 0.028(4) 0.039(5) 0.016(4) -0.005(4) 0.001(4) C72 0.056(6) 0.031(6) 0.057(6) 0.023(5) 0.009(5) -0.006(5) C73 0.075(7) 0.046(7) 0.071(8) 0.027(6) 0.016(7) -0.013(6) C74 0.104(9) 0.025(6) 0.062(7) 0.028(6) 0.006(7) 0.002(5) C75 0.067(7) 0.035(6) 0.064(7) 0.020(6) -0.024(6) 0.015(6) C76 0.054(6) 0.034(6) 0.054(6) 0.015(5) -0.005(5) 0.007(5) O3 0.095(10) 0.39(3) 0.021(5) 0.002(9) -0.016(5) -0.126(15) C51 0.043(5) 0.031(5) 0.034(4) 0.017(4) 0.005(4) -0.004(4) C52 0.038(5) 0.034(6) 0.036(4) 0.014(5) 0.009(4) -0.001(5) C53 0.042(6) 0.062(8) 0.045(5) 0.018(6) 0.018(4) 0.003(6) C54 0.037(6) 0.077(10) 0.073(6) 0.045(7) 0.020(5) 0.014(6) C55 0.038(6) 0.085(11) 0.076(7) 0.044(7) -0.001(5) -0.005(7) C56 0.041(5) 0.062(8) 0.049(6) 0.027(6) 0.000(4) 0.002(6) C41 0.063(7) 0.021(4) 0.034(5) 0.013(4) 0.000(4) 0.000(4) C42 0.094(8) 0.037(6) 0.057(7) 0.017(6) 0.036(7) 0.022(6) C43 0.130(11) 0.050(7) 0.064(8) 0.024(7) 0.028(9) 0.042(7) C44 0.149(13) 0.030(6) 0.069(9) 0.010(7) -0.022(9) 0.031(6) C45 0.115(11) 0.025(5) 0.127(14) 0.017(8) -0.039(10) -0.012(7) C46 0.078(8) 0.029(5) 0.090(10) 0.002(7) -0.004(8) -0.013(5) C100 0.049(6) 0.015(5) 0.035(5) 0.001(4) 0.007(4) -0.012(4) C101 0.089(11) 0.048(8) 0.054(7) -0.012(6) 0.012(7) -0.036(8) B1 0.100(13) 0.061(11) 0.098(12) 0.007(8) -0.038(8) 0.022(9) F1 0.192(17) 0.33(3) 0.154(12) 0.067(12) -0.097(11) -0.129(17) F2 0.138(13) 0.35(3) 0.196(16) 0.105(17) -0.060(10) -0.098(15) F3 0.210(19) 0.132(13) 0.39(3) 0.145(14) -0.126(18) 0.017(13) F4 0.44(3) 0.185(17) 0.137(12) 0.031(11) 0.092(15) 0.141(19) O5 0.016(3) 0.055(5) 0.037(4) 0.002(4) -0.004(3) -0.001(3) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag C1 C30 1.505(14) . ? C1 C20 1.509(12) . ? C1 C10 1.535(12) . ? C1 Rh1 2.098(9) . ? Rh1 O2 2.160(7) . ? Rh1 O1 2.203(7) . ? Rh1 P3 2.244(3) . ? Rh1 P1 2.269(3) . ? Rh1 P2 2.432(3) . ? P3 N3 1.666(9) . ? P3 C81 1.813(10) . ? P3 C91 1.827(10) . ? O1 C100 1.274(13) . ? N3 C33 1.427(14) . ? N3 C30 1.458(12) . ? O2 C100 1.243(13) . ? P2 N2 1.683(9) . ? P2 C61 1.840(10) . ? P2 C71 1.862(12) . ? N2 C23 1.437(12) . ? N2 C20 1.439(12) . ? P1 N1 1.684(9) . ? P1 C51 1.794(10) . ? P1 C41 1.801(6) . ? N1 C13 1.408(13) . ? N1 C10 1.444(14) . ? C30 C31 1.322(15) . ? C31 C32 1.458(15) . ? C31 C38 1.497(15) . ? C32 C37 1.377(16) . ? C32 C33 1.401(17) . ? C33 C34 1.391(15) . ? C34 C35 1.333(19) . ? C34 H34 0.9300 . ? C35 C36 1.40(2) . ? C35 H35 0.9300 . ? C36 C37 1.371(19) . ? C36 H36 0.9300 . ? C37 H37 0.9300 . ? C38 H38A 0.9600 . ? C38 H38B 0.9600 . ? C38 H38C 0.9600 . ? C20 C21 1.386(15) . ? C21 C28 1.444(17) . ? C21 C22 1.451(16) . ? C22 C23 1.319(16) . ? C22 C27 1.360(16) . ? C23 C24 1.412(15) . ? C24 C25 1.393(17) . ? C24 H24 0.9300 . ? C25 C26 1.35(2) . ? C25 H25 0.9300 . ? C26 C27 1.48(2) . ? C26 H26 0.9300 . ? C27 H27 0.9300 . ? C28 H28A 0.9600 . ? C28 H28B 0.9600 . ? C28 H28C 0.9600 . ? C10 C11 1.388(14) . ? C11 C12 1.407(16) . ? C11 C18 1.471(17) . ? C12 C17 1.377(15) . ? C12 C13 1.406(16) . ? C13 C14 1.362(16) . ? C14 C15 1.382(16) . ? C14 H14 0.9300 . ? C15 C16 1.33(2) . ? C15 H15 0.9300 . ? C16 C17 1.402(19) . ? C16 H16 0.9300 . ? C17 H17 0.9300 . ? C18 H18A 0.9600 . ? C18 H18B 0.9600 . ? C18 H18C 0.9600 . ? C91 C92 1.392(17) . ? C91 C96 1.418(15) . ? C92 C93 1.347(18) . ? C92 H92 0.9300 . ? C93 C94 1.42(2) . ? C93 H93 0.9300 . ? C94 C95 1.31(2) . ? C94 H94 0.9300 . ? C95 C96 1.388(17) . ? C95 H95 0.9300 . ? C96 H96 0.9300 . ? C81 C86 1.378(15) . ? C81 C82 1.413(15) . ? C82 C83 1.387(17) . ? C82 H82 0.9300 . ? C83 C84 1.36(2) . ? C83 H83 0.9300 . ? C84 C85 1.41(2) . ? C84 H84 0.9300 . ? C85 C86 1.385(17) . ? C85 H85 0.9300 . ? C86 H86 0.9300 . ? C61 C66 1.356(16) . ? C61 C62 1.400(17) . ? C62 C63 1.419(18) . ? C62 H62 0.9300 . ? C63 C64 1.37(2) . ? C63 H63 0.9300 . ? C64 C65 1.33(2) . ? C64 H64 0.9300 . ? C65 C66 1.394(18) . ? C65 H65 0.9300 . ? C66 H66 0.9300 . ? C71 C72 1.398(17) . ? C71 C76 1.465(16) . ? C72 C73 1.431(18) . ? C72 H72 0.9300 . ? C73 C74 1.34(2) . ? C73 H73 0.9300 . ? C74 C75 1.38(2) . ? C74 H74 0.9300 . ? C75 C76 1.393(18) . ? C75 H75 0.9300 . ? C76 H76 0.9300 . ? C51 C52 1.361(14) . ? C51 C56 1.392(17) . ? C52 C53 1.387(15) . ? C52 H52 0.9300 . ? C53 C54 1.376(19) . ? C53 H53 0.9300 . ? C54 C55 1.35(2) . ? C54 H54 0.9300 . ? C55 C56 1.405(18) . ? C55 H55 0.9300 . ? C56 H56 0.9300 . ? C41 C42 1.3900 . ? C41 C46 1.3900 . ? C42 C43 1.3900 . ? C42 H42A 0.9300 . ? C43 C44 1.3900 . ? C43 H43A 0.9300 . ? C44 C45 1.3900 . ? C44 H44A 0.9300 . ? C45 C46 1.3900 . ? C45 H45A 0.9300 . ? C46 H46A 0.9300 . ? C100 C101 1.512(15) . ? C101 H10A 0.9600 . ? C101 H10B 0.9600 . ? C101 H10C 0.9600 . ? B1 F1 1.21(2) . ? B1 F4 1.31(3) . ? B1 F2 1.35(3) . ? B1 F3 1.37(3) . ? 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 C30 C1 C20 111.5(8) . . ? C30 C1 C10 108.6(8) . . ? C20 C1 C10 114.4(8) . . ? C30 C1 Rh1 111.0(6) . . ? C20 C1 Rh1 100.9(6) . . ? C10 C1 Rh1 110.2(7) . . ? C1 Rh1 O2 107.4(3) . . ? C1 Rh1 O1 167.1(3) . . ? O2 Rh1 O1 59.6(3) . . ? C1 Rh1 P3 82.2(3) . . ? O2 Rh1 P3 170.0(2) . . ? O1 Rh1 P3 110.7(2) . . ? C1 Rh1 P1 88.2(3) . . ? O2 Rh1 P1 85.7(2) . . ? O1 Rh1 P1 90.4(2) . . ? P3 Rh1 P1 97.34(9) . . ? C1 Rh1 P2 79.9(3) . . ? O2 Rh1 P2 79.8(2) . . ? O1 Rh1 P2 96.9(2) . . ? P3 Rh1 P2 99.83(10) . . ? P1 Rh1 P2 157.55(10) . . ? N3 P3 C81 101.3(5) . . ? N3 P3 C91 111.5(5) . . ? C81 P3 C91 104.3(5) . . ? N3 P3 Rh1 103.2(3) . . ? C81 P3 Rh1 126.7(4) . . ? C91 P3 Rh1 109.2(3) . . ? C100 O1 Rh1 89.2(6) . . ? C33 N3 C30 106.0(8) . . ? C33 N3 P3 135.4(7) . . ? C30 N3 P3 117.4(7) . . ? C100 O2 Rh1 92.0(6) . . ? N2 P2 C61 109.1(5) . . ? N2 P2 C71 104.7(5) . . ? C61 P2 C71 103.7(5) . . ? N2 P2 Rh1 93.4(3) . . ? C61 P2 Rh1 110.7(4) . . ? C71 P2 Rh1 133.1(3) . . ? C23 N2 C20 104.4(8) . . ? C23 N2 P2 134.1(7) . . ? C20 N2 P2 118.6(6) . . ? N1 P1 C51 109.8(5) . . ? N1 P1 C41 101.7(4) . . ? C51 P1 C41 105.5(5) . . ? N1 P1 Rh1 101.0(3) . . ? C51 P1 Rh1 119.6(4) . . ? C41 P1 Rh1 117.6(3) . . ? C13 N1 C10 108.6(8) . . ? C13 N1 P1 131.6(8) . . ? C10 N1 P1 119.9(7) . . ? C31 C30 N3 109.6(9) . . ? C31 C30 C1 138.2(10) . . ? N3 C30 C1 111.6(8) . . ? C30 C31 C32 108.5(10) . . ? C30 C31 C38 129.4(10) . . ? C32 C31 C38 121.6(11) . . ? C37 C32 C33 118.2(11) . . ? C37 C32 C31 133.8(12) . . ? C33 C32 C31 107.6(10) . . ? C34 C33 C32 121.4(12) . . ? C34 C33 N3 131.0(11) . . ? C32 C33 N3 107.5(9) . . ? C35 C34 C33 119.5(13) . . ? C35 C34 H34 120.3 . . ? C33 C34 H34 120.3 . . ? C34 C35 C36 119.9(12) . . ? C34 C35 H35 120.1 . . ? C36 C35 H35 120.1 . . ? C37 C36 C35 121.4(12) . . ? C37 C36 H36 119.3 . . ? C35 C36 H36 119.3 . . ? C36 C37 C32 119.5(13) . . ? C36 C37 H37 120.2 . . ? C32 C37 H37 120.2 . . ? C31 C38 H38A 109.5 . . ? C31 C38 H38B 109.5 . . ? H38A C38 H38B 109.5 . . ? C31 C38 H38C 109.5 . . ? H38A C38 H38C 109.5 . . ? H38B C38 H38C 109.5 . . ? C21 C20 N2 110.1(8) . . ? C21 C20 C1 136.0(9) . . ? N2 C20 C1 113.5(8) . . ? C20 C21 C28 132.0(10) . . ? C20 C21 C22 104.9(10) . . ? C28 C21 C22 123.1(10) . . ? C23 C22 C27 122.4(12) . . ? C23 C22 C21 110.6(9) . . ? C27 C22 C21 126.9(13) . . ? C22 C23 C24 124.2(10) . . ? C22 C23 N2 109.8(9) . . ? C24 C23 N2 125.9(10) . . ? C25 C24 C23 116.1(13) . . ? C25 C24 H24 122.0 . . ? C23 C24 H24 122.0 . . ? C26 C25 C24 120.3(12) . . ? C26 C25 H25 119.9 . . ? C24 C25 H25 119.9 . . ? C25 C26 C27 122.3(11) . . ? C25 C26 H26 118.8 . . ? C27 C26 H26 118.8 . . ? C22 C27 C26 114.6(14) . . ? C22 C27 H27 122.7 . . ? C26 C27 H27 122.7 . . ? C21 C28 H28A 109.5 . . ? C21 C28 H28B 109.5 . . ? H28A C28 H28B 109.5 . . ? C21 C28 H28C 109.5 . . ? H28A C28 H28C 109.5 . . ? H28B C28 H28C 109.5 . . ? C11 C10 N1 107.2(9) . . ? C11 C10 C1 133.3(10) . . ? N1 C10 C1 119.0(8) . . ? C10 C11 C12 107.9(10) . . ? C10 C11 C18 128.1(11) . . ? C12 C11 C18 123.8(10) . . ? C17 C12 C13 117.6(12) . . ? C17 C12 C11 132.2(12) . . ? C13 C12 C11 110.0(9) . . ? C14 C13 C12 124.0(10) . . ? C14 C13 N1 129.8(11) . . ? C12 C13 N1 106.1(9) . . ? C13 C14 C15 115.7(12) . . ? C13 C14 H14 122.1 . . ? C15 C14 H14 122.1 . . ? C16 C15 C14 122.7(13) . . ? C16 C15 H15 118.6 . . ? C14 C15 H15 118.6 . . ? C15 C16 C17 121.6(12) . . ? C15 C16 H16 119.2 . . ? C17 C16 H16 119.2 . . ? C12 C17 C16 118.2(13) . . ? C12 C17 H17 120.9 . . ? C16 C17 H17 120.9 . . ? C11 C18 H18A 109.5 . . ? C11 C18 H18B 109.5 . . ? H18A C18 H18B 109.5 . . ? C11 C18 H18C 109.5 . . ? H18A C18 H18C 109.5 . . ? H18B C18 H18C 109.5 . . ? C92 C91 C96 118.3(10) . . ? C92 C91 P3 125.4(9) . . ? C96 C91 P3 116.3(9) . . ? C93 C92 C91 120.4(12) . . ? C93 C92 H92 119.8 . . ? C91 C92 H92 119.8 . . ? C92 C93 C94 120.6(14) . . ? C92 C93 H93 119.7 . . ? C94 C93 H93 119.7 . . ? C95 C94 C93 119.2(13) . . ? C95 C94 H94 120.4 . . ? C93 C94 H94 120.4 . . ? C94 C95 C96 122.5(13) . . ? C94 C95 H95 118.8 . . ? C96 C95 H95 118.8 . . ? C95 C96 C91 118.8(12) . . ? C95 C96 H96 120.6 . . ? C91 C96 H96 120.6 . . ? C86 C81 C82 118.9(10) . . ? C86 C81 P3 122.4(8) . . ? C82 C81 P3 118.7(8) . . ? C83 C82 C81 121.2(12) . . ? C83 C82 H82 119.4 . . ? C81 C82 H82 119.4 . . ? C84 C83 C82 118.6(12) . . ? C84 C83 H83 120.7 . . ? C82 C83 H83 120.7 . . ? C83 C84 C85 121.7(11) . . ? C83 C84 H84 119.2 . . ? C85 C84 H84 119.2 . . ? C86 C85 C84 119.0(13) . . ? C86 C85 H85 120.5 . . ? C84 C85 H85 120.5 . . ? C81 C86 C85 120.5(11) . . ? C81 C86 H86 119.7 . . ? C85 C86 H86 119.7 . . ? C66 C61 C62 120.6(10) . . ? C66 C61 P2 124.4(9) . . ? C62 C61 P2 114.9(8) . . ? C61 C62 C63 118.0(11) . . ? C61 C62 H62 121.0 . . ? C63 C62 H62 121.0 . . ? C64 C63 C62 119.3(14) . . ? C64 C63 H63 120.3 . . ? C62 C63 H63 120.3 . . ? C65 C64 C63 121.1(11) . . ? C65 C64 H64 119.4 . . ? C63 C64 H64 119.4 . . ? C64 C65 C66 121.4(11) . . ? C64 C65 H65 119.3 . . ? C66 C65 H65 119.3 . . ? C61 C66 C65 119.3(12) . . ? C61 C66 H66 120.3 . . ? C65 C66 H66 120.3 . . ? C72 C71 C76 124.0(11) . . ? C72 C71 P2 118.7(9) . . ? C76 C71 P2 117.1(9) . . ? C71 C72 C73 117.5(13) . . ? C71 C72 H72 121.3 . . ? C73 C72 H72 121.3 . . ? C74 C73 C72 118.9(14) . . ? C74 C73 H73 120.5 . . ? C72 C73 H73 120.5 . . ? C73 C74 C75 123.6(13) . . ? C73 C74 H74 118.2 . . ? C75 C74 H74 118.2 . . ? C74 C75 C76 122.9(12) . . ? C74 C75 H75 118.6 . . ? C76 C75 H75 118.6 . . ? C75 C76 C71 113.0(12) . . ? C75 C76 H76 123.5 . . ? C71 C76 H76 123.5 . . ? C52 C51 C56 119.5(10) . . ? C52 C51 P1 125.6(9) . . ? C56 C51 P1 114.9(8) . . ? C51 C52 C53 121.4(12) . . ? C51 C52 H52 119.3 . . ? C53 C52 H52 119.3 . . ? C54 C53 C52 118.1(11) . . ? C54 C53 H53 121.0 . . ? C52 C53 H53 121.0 . . ? C55 C54 C53 121.9(12) . . ? C55 C54 H54 119.0 . . ? C53 C54 H54 119.0 . . ? C54 C55 C56 119.7(13) . . ? C54 C55 H55 120.2 . . ? C56 C55 H55 120.2 . . ? C51 C56 C55 118.8(11) . . ? C51 C56 H56 120.6 . . ? C55 C56 H56 120.6 . . ? C42 C41 C46 120.0 . . ? C42 C41 P1 118.1(5) . . ? C46 C41 P1 121.8(5) . . ? C41 C42 C43 120.0 . . ? C41 C42 H42A 120.0 . . ? C43 C42 H42A 120.0 . . ? C44 C43 C42 120.0 . . ? C44 C43 H43A 120.0 . . ? C42 C43 H43A 120.0 . . ? C43 C44 C45 120.0 . . ? C43 C44 H44A 120.0 . . ? C45 C44 H44A 120.0 . . ? C46 C45 C44 120.0 . . ? C46 C45 H45A 120.0 . . ? C44 C45 H45A 120.0 . . ? C45 C46 C41 120.0 . . ? C45 C46 H46A 120.0 . . ? C41 C46 H46A 120.0 . . ? O2 C100 O1 119.0(9) . . ? O2 C100 C101 122.0(11) . . ? O1 C100 C101 118.9(11) . . ? C100 C101 H10A 109.5 . . ? C100 C101 H10B 109.5 . . ? H10A C101 H10B 109.5 . . ? C100 C101 H10C 109.5 . . ? H10A C101 H10C 109.5 . . ? H10B C101 H10C 109.5 . . ? F1 B1 F4 120(3) . . ? F1 B1 F2 110(3) . . ? F4 B1 F2 100(2) . . ? F1 B1 F3 114(3) . . ? F4 B1 F3 94(2) . . ? F2 B1 F3 117(2) . . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag C30 C1 Rh1 O2 144.0(6) . . . . ? C20 C1 Rh1 O2 25.7(7) . . . . ? C10 C1 Rh1 O2 -95.6(6) . . . . ? C30 C1 Rh1 O1 144.8(13) . . . . ? C20 C1 Rh1 O1 26.4(19) . . . . ? C10 C1 Rh1 O1 -94.9(16) . . . . ? C30 C1 Rh1 P3 -33.4(6) . . . . ? C20 C1 Rh1 P3 -151.7(6) . . . . ? C10 C1 Rh1 P3 87.0(6) . . . . ? C30 C1 Rh1 P1 -131.0(6) . . . . ? C20 C1 Rh1 P1 110.7(6) . . . . ? C10 C1 Rh1 P1 -10.7(6) . . . . ? C30 C1 Rh1 P2 68.1(6) . . . . ? C20 C1 Rh1 P2 -50.2(6) . . . . ? C10 C1 Rh1 P2 -171.5(7) . . . . ? C1 Rh1 P3 N3 17.6(4) . . . . ? O2 Rh1 P3 N3 -147.8(12) . . . . ? O1 Rh1 P3 N3 -162.0(4) . . . . ? P1 Rh1 P3 N3 104.8(3) . . . . ? P2 Rh1 P3 N3 -60.7(3) . . . . ? C1 Rh1 P3 C81 -97.7(5) . . . . ? O2 Rh1 P3 C81 97.0(13) . . . . ? O1 Rh1 P3 C81 82.7(5) . . . . ? P1 Rh1 P3 C81 -10.5(5) . . . . ? P2 Rh1 P3 C81 -176.0(5) . . . . ? C1 Rh1 P3 C91 136.3(5) . . . . ? O2 Rh1 P3 C91 -29.0(13) . . . . ? O1 Rh1 P3 C91 -43.2(5) . . . . ? P1 Rh1 P3 C91 -136.5(4) . . . . ? P2 Rh1 P3 C91 58.0(4) . . . . ? C1 Rh1 O1 C100 1.3(19) . . . . ? O2 Rh1 O1 C100 2.1(6) . . . . ? P3 Rh1 O1 C100 179.3(6) . . . . ? P1 Rh1 O1 C100 -82.7(6) . . . . ? P2 Rh1 O1 C100 76.1(6) . . . . ? C81 P3 N3 C33 -62.3(12) . . . . ? C91 P3 N3 C33 48.2(12) . . . . ? Rh1 P3 N3 C33 165.3(10) . . . . ? C81 P3 N3 C30 132.2(8) . . . . ? C91 P3 N3 C30 -117.3(8) . . . . ? Rh1 P3 N3 C30 -0.2(8) . . . . ? C1 Rh1 O2 C100 177.6(7) . . . . ? O1 Rh1 O2 C100 -2.2(6) . . . . ? P3 Rh1 O2 C100 -17.7(16) . . . . ? P1 Rh1 O2 C100 90.8(6) . . . . ? P2 Rh1 O2 C100 -106.4(6) . . . . ? C1 Rh1 P2 N2 34.9(4) . . . . ? O2 Rh1 P2 N2 -75.0(4) . . . . ? O1 Rh1 P2 N2 -132.4(3) . . . . ? P3 Rh1 P2 N2 115.1(3) . . . . ? P1 Rh1 P2 N2 -24.3(4) . . . . ? C1 Rh1 P2 C61 146.8(5) . . . . ? O2 Rh1 P2 C61 36.9(4) . . . . ? O1 Rh1 P2 C61 -20.5(4) . . . . ? P3 Rh1 P2 C61 -133.0(4) . . . . ? P1 Rh1 P2 C61 87.7(5) . . . . ? C1 Rh1 P2 C71 -78.9(5) . . . . ? O2 Rh1 P2 C71 171.2(5) . . . . ? O1 Rh1 P2 C71 113.8(5) . . . . ? P3 Rh1 P2 C71 1.3(5) . . . . ? P1 Rh1 P2 C71 -138.1(5) . . . . ? C61 P2 N2 C23 29.6(11) . . . . ? C71 P2 N2 C23 -80.8(10) . . . . ? Rh1 P2 N2 C23 142.9(10) . . . . ? C61 P2 N2 C20 -127.7(8) . . . . ? C71 P2 N2 C20 121.8(8) . . . . ? Rh1 P2 N2 C20 -14.4(7) . . . . ? C1 Rh1 P1 N1 5.1(4) . . . . ? O2 Rh1 P1 N1 112.8(4) . . . . ? O1 Rh1 P1 N1 172.3(3) . . . . ? P3 Rh1 P1 N1 -76.8(3) . . . . ? P2 Rh1 P1 N1 62.9(4) . . . . ? C1 Rh1 P1 C51 125.6(5) . . . . ? O2 Rh1 P1 C51 -126.8(5) . . . . ? O1 Rh1 P1 C51 -67.3(5) . . . . ? P3 Rh1 P1 C51 43.6(4) . . . . ? P2 Rh1 P1 C51 -176.7(4) . . . . ? C1 Rh1 P1 C41 -104.4(4) . . . . ? O2 Rh1 P1 C41 3.2(4) . . . . ? O1 Rh1 P1 C41 62.7(4) . . . . ? P3 Rh1 P1 C41 173.7(3) . . . . ? P2 Rh1 P1 C41 -46.6(4) . . . . ? C51 P1 N1 C13 52.7(11) . . . . ? C41 P1 N1 C13 -58.7(10) . . . . ? Rh1 P1 N1 C13 179.8(9) . . . . ? C51 P1 N1 C10 -125.6(8) . . . . ? C41 P1 N1 C10 123.0(8) . . . . ? Rh1 P1 N1 C10 1.6(8) . . . . ? C33 N3 C30 C31 -8.9(12) . . . . ? P3 N3 C30 C31 160.5(8) . . . . ? C33 N3 C30 C1 164.2(8) . . . . ? P3 N3 C30 C1 -26.3(11) . . . . ? C20 C1 C30 C31 -36.0(16) . . . . ? C10 C1 C30 C31 90.9(14) . . . . ? Rh1 C1 C30 C31 -147.7(12) . . . . ? C20 C1 C30 N3 153.7(8) . . . . ? C10 C1 C30 N3 -79.3(10) . . . . ? Rh1 C1 C30 N3 42.0(9) . . . . ? N3 C30 C31 C32 6.3(12) . . . . ? C1 C30 C31 C32 -164.1(11) . . . . ? N3 C30 C31 C38 178.7(11) . . . . ? C1 C30 C31 C38 8(2) . . . . ? C30 C31 C32 C37 171.5(13) . . . . ? C38 C31 C32 C37 -2(2) . . . . ? C30 C31 C32 C33 -1.2(13) . . . . ? C38 C31 C32 C33 -174.3(11) . . . . ? C37 C32 C33 C34 2.5(18) . . . . ? C31 C32 C33 C34 176.5(11) . . . . ? C37 C32 C33 N3 -178.4(10) . . . . ? C31 C32 C33 N3 -4.4(12) . . . . ? C30 N3 C33 C34 -173.2(12) . . . . ? P3 N3 C33 C34 20(2) . . . . ? C30 N3 C33 C32 7.9(11) . . . . ? P3 N3 C33 C32 -158.7(9) . . . . ? C32 C33 C34 C35 -3(2) . . . . ? N3 C33 C34 C35 178.3(12) . . . . ? C33 C34 C35 C36 2(2) . . . . ? C34 C35 C36 C37 -1(2) . . . . ? C35 C36 C37 C32 1(2) . . . . ? C33 C32 C37 C36 -1.4(19) . . . . ? C31 C32 C37 C36 -173.5(13) . . . . ? C23 N2 C20 C21 -3.9(12) . . . . ? P2 N2 C20 C21 159.5(8) . . . . ? C23 N2 C20 C1 170.7(8) . . . . ? P2 N2 C20 C1 -25.9(11) . . . . ? C30 C1 C20 C21 112.3(14) . . . . ? C10 C1 C20 C21 -11.4(18) . . . . ? Rh1 C1 C20 C21 -129.8(13) . . . . ? C30 C1 C20 N2 -60.3(11) . . . . ? C10 C1 C20 N2 175.9(9) . . . . ? Rh1 C1 C20 N2 57.6(9) . . . . ? N2 C20 C21 C28 -179.4(13) . . . . ? C1 C20 C21 C28 8(2) . . . . ? N2 C20 C21 C22 1.8(12) . . . . ? C1 C20 C21 C22 -171.0(12) . . . . ? C20 C21 C22 C23 1.2(14) . . . . ? C28 C21 C22 C23 -177.7(12) . . . . ? C20 C21 C22 C27 177.6(14) . . . . ? C28 C21 C22 C27 -1(2) . . . . ? C27 C22 C23 C24 -4(2) . . . . ? C21 C22 C23 C24 172.8(11) . . . . ? C27 C22 C23 N2 179.7(12) . . . . ? C21 C22 C23 N2 -3.7(14) . . . . ? C20 N2 C23 C22 4.7(12) . . . . ? P2 N2 C23 C22 -154.9(10) . . . . ? C20 N2 C23 C24 -171.8(11) . . . . ? P2 N2 C23 C24 28.7(17) . . . . ? C22 C23 C24 C25 4.5(19) . . . . ? N2 C23 C24 C25 -179.6(11) . . . . ? C23 C24 C25 C26 -2(2) . . . . ? C24 C25 C26 C27 -2(2) . . . . ? C23 C22 C27 C26 0(2) . . . . ? C21 C22 C27 C26 -175.7(12) . . . . ? C25 C26 C27 C22 2(2) . . . . ? C13 N1 C10 C11 -3.3(11) . . . . ? P1 N1 C10 C11 175.3(7) . . . . ? C13 N1 C10 C1 170.3(8) . . . . ? P1 N1 C10 C1 -11.1(12) . . . . ? C30 C1 C10 C11 -51.8(15) . . . . ? C20 C1 C10 C11 73.5(14) . . . . ? Rh1 C1 C10 C11 -173.6(10) . . . . ? C30 C1 C10 N1 136.6(9) . . . . ? C20 C1 C10 N1 -98.1(11) . . . . ? Rh1 C1 C10 N1 14.9(11) . . . . ? N1 C10 C11 C12 1.4(11) . . . . ? C1 C10 C11 C12 -170.9(10) . . . . ? N1 C10 C11 C18 177.2(12) . . . . ? C1 C10 C11 C18 5(2) . . . . ? C10 C11 C12 C17 176.9(12) . . . . ? C18 C11 C12 C17 0.9(19) . . . . ? C10 C11 C12 C13 1.0(12) . . . . ? C18 C11 C12 C13 -175.0(12) . . . . ? C17 C12 C13 C14 -2.3(16) . . . . ? C11 C12 C13 C14 174.3(10) . . . . ? C17 C12 C13 N1 -179.6(9) . . . . ? C11 C12 C13 N1 -3.0(11) . . . . ? C10 N1 C13 C14 -173.2(11) . . . . ? P1 N1 C13 C14 8.4(17) . . . . ? C10 N1 C13 C12 3.8(11) . . . . ? P1 N1 C13 C12 -174.6(7) . . . . ? C12 C13 C14 C15 0.1(16) . . . . ? N1 C13 C14 C15 176.7(11) . . . . ? C13 C14 C15 C16 1.2(18) . . . . ? C14 C15 C16 C17 0(2) . . . . ? C13 C12 C17 C16 3.2(16) . . . . ? C11 C12 C17 C16 -172.5(11) . . . . ? C15 C16 C17 C12 -2.0(19) . . . . ? N3 P3 C91 C92 -24.2(11) . . . . ? C81 P3 C91 C92 84.4(11) . . . . ? Rh1 P3 C91 C92 -137.6(10) . . . . ? N3 P3 C91 C96 154.8(8) . . . . ? C81 P3 C91 C96 -96.7(9) . . . . ? Rh1 P3 C91 C96 41.3(9) . . . . ? C96 C91 C92 C93 -1.8(19) . . . . ? P3 C91 C92 C93 177.1(11) . . . . ? C91 C92 C93 C94 5(2) . . . . ? C92 C93 C94 C95 -6(2) . . . . ? C93 C94 C95 C96 4(2) . . . . ? C94 C95 C96 C91 -1(2) . . . . ? C92 C91 C96 C95 -0.2(17) . . . . ? P3 C91 C96 C95 -179.2(9) . . . . ? N3 P3 C81 C86 146.9(10) . . . . ? C91 P3 C81 C86 31.0(11) . . . . ? Rh1 P3 C81 C86 -96.9(10) . . . . ? N3 P3 C81 C82 -30.8(10) . . . . ? C91 P3 C81 C82 -146.7(9) . . . . ? Rh1 P3 C81 C82 85.3(10) . . . . ? C86 C81 C82 C83 0.3(19) . . . . ? P3 C81 C82 C83 178.1(10) . . . . ? C81 C82 C83 C84 -3(2) . . . . ? C82 C83 C84 C85 5(2) . . . . ? C83 C84 C85 C86 -4(3) . . . . ? C82 C81 C86 C85 0.5(19) . . . . ? P3 C81 C86 C85 -177.2(11) . . . . ? C84 C85 C86 C81 1(2) . . . . ? N2 P2 C61 C66 11.9(13) . . . . ? C71 P2 C61 C66 123.0(11) . . . . ? Rh1 P2 C61 C66 -89.6(11) . . . . ? N2 P2 C61 C62 -171.8(10) . . . . ? C71 P2 C61 C62 -60.6(11) . . . . ? Rh1 P2 C61 C62 86.8(10) . . . . ? C66 C61 C62 C63 -4(2) . . . . ? P2 C61 C62 C63 179.5(12) . . . . ? C61 C62 C63 C64 5(2) . . . . ? C62 C63 C64 C65 -4(2) . . . . ? C63 C64 C65 C66 1(2) . . . . ? C62 C61 C66 C65 1(2) . . . . ? P2 C61 C66 C65 177.3(10) . . . . ? C64 C65 C66 C61 0(2) . . . . ? N2 P2 C71 C72 9.8(9) . . . . ? C61 P2 C71 C72 -104.6(9) . . . . ? Rh1 P2 C71 C72 119.0(8) . . . . ? N2 P2 C71 C76 -175.0(8) . . . . ? C61 P2 C71 C76 70.6(9) . . . . ? Rh1 P2 C71 C76 -65.8(9) . . . . ? C76 C71 C72 C73 -0.7(18) . . . . ? P2 C71 C72 C73 174.2(9) . . . . ? C71 C72 C73 C74 -0.9(19) . . . . ? C72 C73 C74 C75 3(2) . . . . ? C73 C74 C75 C76 -4(2) . . . . ? C74 C75 C76 C71 2.6(18) . . . . ? C72 C71 C76 C75 -0.2(16) . . . . ? P2 C71 C76 C75 -175.1(8) . . . . ? N1 P1 C51 C52 -6.5(12) . . . . ? C41 P1 C51 C52 102.4(10) . . . . ? Rh1 P1 C51 C52 -122.4(10) . . . . ? N1 P1 C51 C56 174.8(9) . . . . ? C41 P1 C51 C56 -76.3(10) . . . . ? Rh1 P1 C51 C56 58.9(11) . . . . ? C56 C51 C52 C53 2.3(18) . . . . ? P1 C51 C52 C53 -176.4(10) . . . . ? C51 C52 C53 C54 5(2) . . . . ? C52 C53 C54 C55 -6(2) . . . . ? C53 C54 C55 C56 1(3) . . . . ? C52 C51 C56 C55 -7(2) . . . . ? P1 C51 C56 C55 171.5(11) . . . . ? C54 C55 C56 C51 6(2) . . . . ? N1 P1 C41 C42 -38.6(6) . . . . ? C51 P1 C41 C42 -153.2(6) . . . . ? Rh1 P1 C41 C42 70.5(5) . . . . ? N1 P1 C41 C46 137.6(6) . . . . ? C51 P1 C41 C46 23.0(7) . . . . ? Rh1 P1 C41 C46 -113.3(5) . . . . ? C46 C41 C42 C43 0.0 . . . . ? P1 C41 C42 C43 176.3(6) . . . . ? C41 C42 C43 C44 0.0 . . . . ? C42 C43 C44 C45 0.0 . . . . ? C43 C44 C45 C46 0.0 . . . . ? C44 C45 C46 C41 0.0 . . . . ? C42 C41 C46 C45 0.0 . . . . ? P1 C41 C46 C45 -176.2(7) . . . . ? Rh1 O2 C100 O1 3.8(11) . . . . ? Rh1 O2 C100 C101 -177.8(11) . . . . ? Rh1 O1 C100 O2 -3.7(11) . . . . ? Rh1 O1 C100 C101 177.8(11) . . . . ? _diffrn_measured_fraction_theta_max 0.730 _diffrn_reflns_theta_full 24.71 _diffrn_measured_fraction_theta_full 0.730 _refine_diff_density_max 3.006 _refine_diff_density_min -2.207 _refine_diff_density_rms 0.340