Supplementary Material (ESI) for Dalton Transactions This journal is (c) The Royal Society of Chemistry 2006 data_global _journal_name_full 'Dalton Trans.' _journal_coden_Cambridge 0222 _publ_contact_author_name 'Antonio Pizzano' _publ_contact_author_address ; Instituto de Investigaciones Quimicas Avda Americo Vespucio 49. Isla de l Sevilla 41092 SPAIN ; _publ_contact_author_email PIZZANO@IIQ.CSIC.ES _publ_section_title ; Rhodium diphosphite pincer complexes. Rare preferred in-plane olefin conformation in square-planar compounds ; loop_ _publ_author_name 'Antonio Pizzano' 'Eleuterio Alvarez' 'del Rio,D.' 'Agustin Galindo' 'Miguel Rubio' 'Andres Suarez' # Attachment '5a.cif' data_ea07405a _database_code_depnum_ccdc_archive 'CCDC 625416' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_formula_moiety 'C64 H87 O6 P2 Rh, C5 H12' _chemical_formula_sum 'C69 H99 O6 P2 Rh' _chemical_formula_weight 1189.33 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' 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)/c _symmetry_space_group_name_Hall '-P 2ybc' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' _cell_length_a 17.2239(5) _cell_length_b 19.2234(6) _cell_length_c 20.3456(6) _cell_angle_alpha 90.00 _cell_angle_beta 97.7050(10) _cell_angle_gamma 90.00 _cell_volume 6675.6(3) _cell_formula_units_Z 4 _cell_measurement_temperature 100(2) _cell_measurement_reflns_used 9095 _cell_measurement_theta_min 2.61 _cell_measurement_theta_max 30.49 _exptl_crystal_description prism _exptl_crystal_colour yellow _exptl_crystal_size_max 0.30 _exptl_crystal_size_mid 0.26 _exptl_crystal_size_min 0.24 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.183 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 2544 _exptl_absorpt_coefficient_mu 0.351 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.9020 _exptl_absorpt_correction_T_max 0.9205 _exptl_absorpt_process_details ; SADABS v. 2.03: Area-Detector Absorption Correction. (1997-2001) Bruker-AXS within SAINT+ package, v. 6.04 ; _diffrn_ambient_temperature 100(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 'Bruker-Nonius X8Apex II CCD area detector' _diffrn_measurement_method 'phi and omega scans with narrow frames' _diffrn_detector_area_resol_mean 8.26 _diffrn_standards_decay_% 'no decay' _diffrn_reflns_number 153626 _diffrn_reflns_av_R_equivalents 0.0346 _diffrn_reflns_av_sigmaI/netI 0.0223 _diffrn_reflns_limit_h_min -20 _diffrn_reflns_limit_h_max 24 _diffrn_reflns_limit_k_min -27 _diffrn_reflns_limit_k_max 26 _diffrn_reflns_limit_l_min -29 _diffrn_reflns_limit_l_max 29 _diffrn_reflns_theta_min 2.35 _diffrn_reflns_theta_max 30.52 _reflns_number_total 20381 _reflns_number_gt 17602 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'SMART v. 5.625 (Bruker-AXS, 2001)' _computing_cell_refinement 'SAINT+ v. 6.04 (Bruker-AXS, 2001)' _computing_data_reduction 'SAINT+ v. 6.04 (Bruker-AXS, 2001)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'xp program, SHELXTL v. 6.10, BRUKER, 2000' _computing_publication_material 'XCIF program, SHELXTL v.6.10, Bruker 2000' _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^)+(0.0429P)^2^+3.5071P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 20381 _refine_ls_number_parameters 719 _refine_ls_number_restraints 35 _refine_ls_R_factor_all 0.0392 _refine_ls_R_factor_gt 0.0311 _refine_ls_wR_factor_ref 0.0850 _refine_ls_wR_factor_gt 0.0797 _refine_ls_goodness_of_fit_ref 1.052 _refine_ls_restrained_S_all 1.058 _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 Rh1 Rh 0.307973(6) 0.159415(5) 0.203457(5) 0.01182(3) Uani 1 1 d . . . P1 P 0.292276(19) 0.046373(17) 0.215518(16) 0.01266(6) Uani 1 1 d . . . P2 P 0.35680(2) 0.254276(17) 0.162552(15) 0.01278(6) Uani 1 1 d . . . O1 O 0.35387(6) 0.00355(5) 0.17753(5) 0.01550(17) Uani 1 1 d . . . O2 O 0.30669(5) 0.02026(5) 0.29112(4) 0.01415(17) Uani 1 1 d . . . O3 O 0.21580(5) 0.00307(5) 0.18350(5) 0.01570(18) Uani 1 1 d . . . O4 O 0.41567(6) 0.23296(5) 0.10999(5) 0.01619(18) Uani 1 1 d . . . O5 O 0.41646(5) 0.30926(5) 0.20340(4) 0.01372(17) Uani 1 1 d . . . O6 O 0.29208(6) 0.30284(5) 0.12188(5) 0.01598(18) Uani 1 1 d . . . C1 C 0.38464(7) 0.11920(7) 0.14652(6) 0.0134(2) Uani 1 1 d . . . C2 C 0.39922(7) 0.04799(7) 0.14337(6) 0.0142(2) Uani 1 1 d . . . C3 C 0.45493(8) 0.01888(7) 0.10817(7) 0.0179(2) Uani 1 1 d . . . H3 H 0.4634 -0.0299 0.1080 0.021 Uiso 1 1 d R . . C4 C 0.49791(8) 0.06382(8) 0.07303(7) 0.0188(3) Uani 1 1 d . . . H4 H 0.5367 0.0453 0.0488 0.023 Uiso 1 1 d R . . C5 C 0.48502(8) 0.13513(7) 0.07291(6) 0.0164(2) Uani 1 1 d . . . H5 H 0.5140 0.1655 0.0486 0.020 Uiso 1 1 d R . . C6 C 0.42884(8) 0.16084(6) 0.10939(6) 0.0134(2) Uani 1 1 d . . . C7 C 0.30242(8) -0.04972(7) 0.31002(6) 0.0138(2) Uani 1 1 d . . . C8 C 0.36896(7) -0.08193(7) 0.34427(6) 0.0138(2) Uani 1 1 d . . . C9 C 0.36034(8) -0.15237(7) 0.35885(6) 0.0160(2) Uani 1 1 d . . . H9 H 0.4046 -0.1767 0.3805 0.019 Uiso 1 1 d R . . C10 C 0.28984(8) -0.18910(7) 0.34333(7) 0.0176(2) Uani 1 1 d . . . C11 C 0.22426(8) -0.15228(7) 0.31512(7) 0.0186(3) Uani 1 1 d . . . H11 H 0.1751 -0.1753 0.3069 0.022 Uiso 1 1 d R . . C12 C 0.22945(8) -0.08183(7) 0.29853(6) 0.0153(2) Uani 1 1 d . . . C13 C 0.15696(8) -0.04276(7) 0.27391(7) 0.0161(2) Uani 1 1 d . . . C14 C 0.14977(7) -0.00167(7) 0.21672(6) 0.0153(2) Uani 1 1 d . . . C15 C 0.07872(8) 0.02920(7) 0.19003(7) 0.0176(2) Uani 1 1 d . . . C16 C 0.01715(8) 0.02265(8) 0.22814(7) 0.0202(3) Uani 1 1 d . . . H16 H -0.0313 0.0445 0.2124 0.024 Uiso 1 1 d R . . C17 C 0.02269(8) -0.01398(8) 0.28779(7) 0.0201(3) Uani 1 1 d . . . C18 C 0.09272(8) -0.04802(8) 0.30889(7) 0.0192(3) Uani 1 1 d . . . H18 H 0.0971 -0.0755 0.3480 0.023 Uiso 1 1 d R . . C19 C 0.44451(8) -0.04150(7) 0.36849(6) 0.0155(2) Uani 1 1 d . . . C20 C 0.42527(8) 0.02052(7) 0.41179(7) 0.0195(3) Uani 1 1 d . . . H20A H 0.3903 0.0529 0.3849 0.029 Uiso 1 1 d R . . H20B H 0.4739 0.0446 0.4292 0.029 Uiso 1 1 d R . . H20C H 0.3995 0.0035 0.4488 0.029 Uiso 1 1 d R . . C21 C 0.48426(8) -0.01394(8) 0.31026(7) 0.0206(3) Uani 1 1 d . . . H21A H 0.4917 -0.0523 0.2801 0.031 Uiso 1 1 d R . . H21B H 0.5352 0.0063 0.3273 0.031 Uiso 1 1 d R . . H21C H 0.4510 0.0218 0.2863 0.031 Uiso 1 1 d R . . C22 C 0.50409(8) -0.08758(8) 0.41169(7) 0.0197(3) Uani 1 1 d . . . H22A H 0.4801 -0.1061 0.4491 0.030 Uiso 1 1 d R . . H22B H 0.5502 -0.0598 0.4285 0.030 Uiso 1 1 d R . . H22C H 0.5199 -0.1262 0.3850 0.030 Uiso 1 1 d R . . C23 C 0.28729(9) -0.26747(7) 0.35717(7) 0.0213(3) Uani 1 1 d . . . C24 C 0.31030(11) -0.28132(8) 0.43158(7) 0.0264(3) Uani 1 1 d . . . H24A H 0.2714 -0.2602 0.4565 0.040 Uiso 1 1 d R . . H24B H 0.3619 -0.2610 0.4462 0.040 Uiso 1 1 d R . . H24C H 0.3122 -0.3316 0.4396 0.040 Uiso 1 1 d R . . C25 C 0.20563(11) -0.29829(9) 0.33615(11) 0.0393(4) Uani 1 1 d . . . H25A H 0.2067 -0.3483 0.3454 0.059 Uiso 1 1 d R . . H25B H 0.1902 -0.2906 0.2886 0.059 Uiso 1 1 d R . . H25C H 0.1677 -0.2757 0.3611 0.059 Uiso 1 1 d R . . C26 C 0.34558(11) -0.30426(8) 0.31799(8) 0.0278(3) Uani 1 1 d . . . H26A H 0.3444 -0.3544 0.3263 0.042 Uiso 1 1 d R . . H26B H 0.3985 -0.2864 0.3321 0.042 Uiso 1 1 d R . . H26C H 0.3310 -0.2954 0.2705 0.042 Uiso 1 1 d R . . C27 C 0.06523(9) 0.06493(8) 0.12140(7) 0.0225(3) Uani 1 1 d . . . C28 C 0.08832(11) 0.01403(11) 0.06828(8) 0.0344(4) Uani 1 1 d . . . H28A H 0.0568 -0.0284 0.0682 0.052 Uiso 1 1 d R . . H28B H 0.1440 0.0022 0.0785 0.052 Uiso 1 1 d R . . H28C H 0.0787 0.0361 0.0245 0.052 Uiso 1 1 d R . . C29 C -0.02125(10) 0.08318(11) 0.10098(9) 0.0340(4) Uani 1 1 d . . . H29A H -0.0378 0.1172 0.1322 0.051 Uiso 1 1 d R . . H29B H -0.0532 0.0410 0.1015 0.051 Uiso 1 1 d R . . H29C H -0.0281 0.1030 0.0562 0.051 Uiso 1 1 d R . . C30 C 0.11239(11) 0.13206(10) 0.11976(9) 0.0343(4) Uani 1 1 d . . . H30A H 0.1024 0.1525 0.0753 0.051 Uiso 1 1 d R . . H30B H 0.1684 0.1218 0.1306 0.051 Uiso 1 1 d R . . H30C H 0.0965 0.1650 0.1523 0.051 Uiso 1 1 d R . . C31 C -0.04596(8) -0.01921(9) 0.32808(7) 0.0251(3) Uani 1 1 d . . . C32 C -0.01835(10) -0.00336(13) 0.40167(9) 0.0423(5) Uani 1 1 d . . . H32A H -0.0628 -0.0072 0.4269 0.064 Uiso 1 1 d R . . H32B H 0.0030 0.0439 0.4060 0.064 Uiso 1 1 d R . . H32C H 0.0224 -0.0367 0.4190 0.064 Uiso 1 1 d R . . C33 C -0.07999(10) -0.09318(10) 0.32163(9) 0.0331(4) Uani 1 1 d . . . H33A H -0.0984 -0.1031 0.2749 0.050 Uiso 1 1 d R . . H33B H -0.1240 -0.0968 0.3474 0.050 Uiso 1 1 d R . . H33C H -0.0393 -0.1268 0.3384 0.050 Uiso 1 1 d R . . C34 C -0.11101(9) 0.03300(10) 0.30410(9) 0.0307(3) Uani 1 1 d . . . H34A H -0.1316 0.0232 0.2578 0.046 Uiso 1 1 d R . . H34B H -0.0897 0.0803 0.3077 0.046 Uiso 1 1 d R . . H34C H -0.1533 0.0288 0.3316 0.046 Uiso 1 1 d R . . C35 C 0.38655(7) 0.34454(6) 0.25495(6) 0.0129(2) Uani 1 1 d . . . C36 C 0.41582(8) 0.32999(7) 0.32127(6) 0.0140(2) Uani 1 1 d . . . C37 C 0.37530(8) 0.36052(7) 0.36916(6) 0.0151(2) Uani 1 1 d . . . H37 H 0.3926 0.3508 0.4146 0.018 Uiso 1 1 d R . . C38 C 0.31084(8) 0.40442(7) 0.35360(6) 0.0141(2) Uani 1 1 d . . . C39 C 0.29064(8) 0.42309(7) 0.28706(6) 0.0141(2) Uani 1 1 d . . . H39 H 0.2504 0.4564 0.2757 0.017 Uiso 1 1 d R . . C40 C 0.32829(7) 0.39400(6) 0.23697(6) 0.0130(2) Uani 1 1 d . . . C41 C 0.30717(7) 0.41868(7) 0.16726(6) 0.0127(2) Uani 1 1 d . . . C42 C 0.28911(7) 0.37474(6) 0.11290(6) 0.0128(2) Uani 1 1 d . . . C43 C 0.25933(7) 0.39963(7) 0.04943(6) 0.0138(2) Uani 1 1 d . . . C44 C 0.25663(8) 0.47167(7) 0.04191(6) 0.0150(2) Uani 1 1 d . . . H44 H 0.2390 0.4901 -0.0008 0.018 Uiso 1 1 d R . . C45 C 0.27849(7) 0.51839(7) 0.09390(6) 0.0141(2) Uani 1 1 d . . . C46 C 0.30204(7) 0.49068(7) 0.15648(6) 0.0135(2) Uani 1 1 d . . . H46 H 0.3150 0.5213 0.1929 0.016 Uiso 1 1 d R . . C47 C 0.48908(8) 0.28463(7) 0.34074(6) 0.0164(2) Uani 1 1 d . . . C48 C 0.51575(9) 0.28775(8) 0.41587(7) 0.0229(3) Uani 1 1 d . . . H48A H 0.5233 0.3364 0.4297 0.034 Uiso 1 1 d R . . H48B H 0.5652 0.2624 0.4265 0.034 Uiso 1 1 d R . . H48C H 0.4756 0.2665 0.4393 0.034 Uiso 1 1 d R . . C49 C 0.47277(10) 0.20800(8) 0.32266(8) 0.0252(3) Uani 1 1 d . . . H49A H 0.4286 0.1915 0.3441 0.038 Uiso 1 1 d R . . H49B H 0.5193 0.1801 0.3379 0.038 Uiso 1 1 d R . . H49C H 0.4600 0.2035 0.2744 0.038 Uiso 1 1 d R . . C50 C 0.55753(8) 0.31205(8) 0.30650(7) 0.0229(3) Uani 1 1 d . . . H50A H 0.5434 0.3094 0.2583 0.034 Uiso 1 1 d R . . H50B H 0.6043 0.2837 0.3198 0.034 Uiso 1 1 d R . . H50C H 0.5684 0.3605 0.3196 0.034 Uiso 1 1 d R . . C51 C 0.26126(8) 0.43102(7) 0.40558(6) 0.0164(2) Uani 1 1 d . . . C52 C 0.29335(9) 0.40798(9) 0.47606(7) 0.0249(3) Uani 1 1 d . . . H52A H 0.2950 0.3571 0.4781 0.037 Uiso 1 1 d R . . H52B H 0.2592 0.4255 0.5072 0.037 Uiso 1 1 d R . . H52C H 0.3463 0.4265 0.4880 0.037 Uiso 1 1 d R . . C53 C 0.17783(9) 0.40156(9) 0.38898(8) 0.0270(3) Uani 1 1 d . . . H53A H 0.1546 0.4184 0.3453 0.041 Uiso 1 1 d R . . H53B H 0.1457 0.4169 0.4226 0.041 Uiso 1 1 d R . . H53C H 0.1801 0.3506 0.3886 0.041 Uiso 1 1 d R . . C54 C 0.25763(10) 0.51079(8) 0.40388(8) 0.0264(3) Uani 1 1 d . . . H54A H 0.3109 0.5298 0.4123 0.040 Uiso 1 1 d R . . H54B H 0.2271 0.5274 0.4381 0.040 Uiso 1 1 d R . . H54C H 0.2326 0.5261 0.3602 0.040 Uiso 1 1 d R . . C55 C 0.22890(8) 0.35105(7) -0.00847(6) 0.0170(2) Uani 1 1 d . . . C56 C 0.16655(10) 0.30040(9) 0.01158(7) 0.0275(3) Uani 1 1 d . . . H56A H 0.1906 0.2695 0.0469 0.041 Uiso 1 1 d R . . H56B H 0.1451 0.2726 -0.0270 0.041 Uiso 1 1 d R . . H56C H 0.1243 0.3270 0.0276 0.041 Uiso 1 1 d R . . C57 C 0.29727(9) 0.31045(8) -0.03153(7) 0.0224(3) Uani 1 1 d . . . H57A H 0.3340 0.3431 -0.0477 0.034 Uiso 1 1 d R . . H57B H 0.2770 0.2786 -0.0674 0.034 Uiso 1 1 d R . . H57C H 0.3244 0.2837 0.0057 0.034 Uiso 1 1 d R . . C58 C 0.18808(9) 0.39304(8) -0.06774(7) 0.0218(3) Uani 1 1 d . . . H58A H 0.1462 0.4215 -0.0533 0.033 Uiso 1 1 d R . . H58B H 0.1656 0.3610 -0.1027 0.033 Uiso 1 1 d R . . H58C H 0.2264 0.4233 -0.0850 0.033 Uiso 1 1 d R . . C59 C 0.27684(8) 0.59674(7) 0.07974(7) 0.0165(2) Uani 1 1 d . . . C60 C 0.19773(10) 0.61870(8) 0.04083(8) 0.0265(3) Uani 1 1 d . . . H60A H 0.1880 0.5920 -0.0005 0.040 Uiso 1 1 d R . . H60B H 0.1991 0.6684 0.0305 0.040 Uiso 1 1 d R . . H60C H 0.1557 0.6097 0.0678 0.040 Uiso 1 1 d R . . C61 C 0.34232(10) 0.61348(8) 0.03790(8) 0.0253(3) Uani 1 1 d . . . H61A H 0.3925 0.5967 0.0609 0.038 Uiso 1 1 d R . . H61B H 0.3451 0.6639 0.0315 0.038 Uiso 1 1 d R . . H61C H 0.3312 0.5905 -0.0053 0.038 Uiso 1 1 d R . . C62 C 0.29066(9) 0.63966(7) 0.14367(7) 0.0220(3) Uani 1 1 d . . . H62A H 0.2500 0.6288 0.1715 0.033 Uiso 1 1 d R . . H62B H 0.2886 0.6893 0.1326 0.033 Uiso 1 1 d R . . H62C H 0.3422 0.6284 0.1678 0.033 Uiso 1 1 d R . . C63 C 0.23604(9) 0.23267(8) 0.25561(7) 0.0212(3) Uani 1 1 d D . . H63A H 0.2698(10) 0.2637(9) 0.2797(9) 0.021(4) Uiso 1 1 d D . . H63B H 0.1985(10) 0.2537(10) 0.2234(9) 0.030(5) Uiso 1 1 d D . . C64 C 0.22462(9) 0.16612(8) 0.27742(7) 0.0197(3) Uani 1 1 d D . . H64A H 0.2515(11) 0.1506(10) 0.3188(8) 0.024(5) Uiso 1 1 d D . . H64B H 0.1775(9) 0.1410(9) 0.2611(9) 0.023(5) Uiso 1 1 d D . . C65 C 0.2129(5) 0.8438(3) 0.0868(3) 0.197(3) Uani 1 1 d U . . H65A H 0.2191 0.8825 0.1184 0.296 Uiso 1 1 d R . . H65B H 0.2274 0.8592 0.0441 0.296 Uiso 1 1 d R . . H65C H 0.2469 0.8052 0.1039 0.296 Uiso 1 1 d R . . C66 C 0.1264(6) 0.8192(4) 0.0771(3) 0.215(3) Uani 1 1 d U . . H66A H 0.0924 0.8585 0.0600 0.258 Uiso 1 1 d R . . H66B H 0.1200 0.7817 0.0434 0.258 Uiso 1 1 d R . . C67 C 0.1002(3) 0.7928(3) 0.1402(2) 0.157(2) Uani 1 1 d U . . H67A H 0.1341 0.7526 0.1549 0.189 Uiso 1 1 d R . . H67B H 0.1125 0.8297 0.1739 0.189 Uiso 1 1 d R . . C68 C 0.0171(5) 0.7704(6) 0.1436(5) 0.250(4) Uani 1 1 d U . . H68A H -0.0172 0.8103 0.1288 0.300 Uiso 1 1 d R . . H68B H 0.0047 0.7329 0.1105 0.300 Uiso 1 1 d R . . C69 C -0.0051(4) 0.7464(6) 0.2045(5) 0.255(5) Uani 1 1 d U . . H69A H 0.0221 0.7027 0.2172 0.382 Uiso 1 1 d R . . H69B H -0.0618 0.7386 0.1992 0.382 Uiso 1 1 d R . . H69C H 0.0091 0.7813 0.2392 0.382 Uiso 1 1 d 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 0.01447(5) 0.01114(5) 0.01056(5) 0.00087(3) 0.00432(3) 0.00061(3) P1 0.01311(14) 0.01244(14) 0.01276(13) 0.00115(11) 0.00293(11) -0.00023(11) P2 0.01748(15) 0.01157(14) 0.00975(13) 0.00062(10) 0.00344(11) 0.00004(11) O1 0.0168(4) 0.0131(4) 0.0177(4) 0.0006(3) 0.0062(3) 0.0005(3) O2 0.0160(4) 0.0125(4) 0.0139(4) 0.0018(3) 0.0017(3) -0.0009(3) O3 0.0141(4) 0.0184(4) 0.0147(4) 0.0004(3) 0.0021(3) -0.0024(3) O4 0.0229(5) 0.0141(4) 0.0130(4) 0.0005(3) 0.0077(3) -0.0008(4) O5 0.0167(4) 0.0139(4) 0.0107(4) -0.0010(3) 0.0025(3) 0.0005(3) O6 0.0209(5) 0.0115(4) 0.0145(4) 0.0013(3) -0.0014(3) -0.0012(3) C1 0.0154(6) 0.0144(5) 0.0106(5) -0.0003(4) 0.0023(4) 0.0005(4) C2 0.0146(6) 0.0154(6) 0.0127(5) -0.0006(4) 0.0029(4) -0.0012(4) C3 0.0184(6) 0.0174(6) 0.0185(6) -0.0027(5) 0.0047(5) 0.0021(5) C4 0.0168(6) 0.0231(7) 0.0175(6) -0.0044(5) 0.0060(5) 0.0009(5) C5 0.0170(6) 0.0208(6) 0.0121(5) -0.0023(5) 0.0046(4) -0.0029(5) C6 0.0159(6) 0.0141(5) 0.0104(5) -0.0013(4) 0.0019(4) -0.0008(4) C7 0.0161(6) 0.0124(5) 0.0132(5) 0.0013(4) 0.0033(4) -0.0003(4) C8 0.0149(6) 0.0156(6) 0.0113(5) -0.0008(4) 0.0029(4) 0.0006(4) C9 0.0185(6) 0.0149(6) 0.0144(5) 0.0007(4) 0.0012(5) 0.0024(5) C10 0.0216(6) 0.0133(6) 0.0177(6) 0.0018(5) 0.0015(5) -0.0010(5) C11 0.0180(6) 0.0163(6) 0.0211(6) 0.0034(5) 0.0013(5) -0.0036(5) C12 0.0147(6) 0.0151(6) 0.0160(5) 0.0028(4) 0.0020(4) -0.0006(5) C13 0.0131(6) 0.0160(6) 0.0189(6) 0.0028(5) 0.0007(4) -0.0013(4) C14 0.0133(5) 0.0163(6) 0.0162(5) 0.0008(4) 0.0016(4) -0.0021(4) C15 0.0158(6) 0.0189(6) 0.0172(6) 0.0011(5) -0.0011(5) -0.0012(5) C16 0.0137(6) 0.0254(7) 0.0208(6) 0.0006(5) -0.0004(5) 0.0018(5) C17 0.0139(6) 0.0264(7) 0.0200(6) 0.0000(5) 0.0025(5) -0.0020(5) C18 0.0164(6) 0.0213(6) 0.0200(6) 0.0046(5) 0.0026(5) -0.0021(5) C19 0.0150(6) 0.0174(6) 0.0140(5) -0.0009(4) 0.0012(4) -0.0002(5) C20 0.0204(6) 0.0189(6) 0.0188(6) -0.0051(5) 0.0016(5) -0.0008(5) C21 0.0157(6) 0.0288(7) 0.0176(6) 0.0005(5) 0.0030(5) -0.0024(5) C22 0.0169(6) 0.0242(7) 0.0171(6) -0.0014(5) -0.0007(5) 0.0024(5) C23 0.0272(7) 0.0141(6) 0.0213(6) 0.0029(5) -0.0010(5) -0.0007(5) C24 0.0418(9) 0.0180(7) 0.0205(7) 0.0035(5) 0.0079(6) 0.0027(6) C25 0.0340(9) 0.0166(7) 0.0630(13) 0.0101(8) -0.0088(8) -0.0069(6) C26 0.0456(10) 0.0172(7) 0.0199(7) -0.0027(5) 0.0022(6) 0.0038(6) C27 0.0189(6) 0.0285(7) 0.0185(6) 0.0054(5) -0.0027(5) -0.0006(5) C28 0.0336(9) 0.0487(11) 0.0192(7) -0.0016(7) -0.0023(6) 0.0013(8) C29 0.0242(8) 0.0473(10) 0.0283(8) 0.0117(7) -0.0053(6) 0.0018(7) C30 0.0321(9) 0.0348(9) 0.0328(9) 0.0151(7) -0.0073(7) -0.0052(7) C31 0.0146(6) 0.0397(9) 0.0213(7) 0.0009(6) 0.0039(5) -0.0015(6) C32 0.0221(8) 0.0823(16) 0.0234(8) -0.0065(9) 0.0058(6) 0.0014(9) C33 0.0232(8) 0.0404(10) 0.0371(9) 0.0100(7) 0.0094(7) -0.0043(7) C34 0.0160(7) 0.0410(9) 0.0363(9) -0.0011(7) 0.0073(6) 0.0010(6) C35 0.0155(5) 0.0127(5) 0.0108(5) -0.0005(4) 0.0027(4) -0.0002(4) C36 0.0153(6) 0.0144(6) 0.0122(5) 0.0006(4) 0.0011(4) 0.0017(4) C37 0.0184(6) 0.0165(6) 0.0101(5) 0.0014(4) 0.0005(4) 0.0016(5) C38 0.0165(6) 0.0146(6) 0.0113(5) -0.0004(4) 0.0020(4) 0.0006(4) C39 0.0156(6) 0.0141(5) 0.0124(5) 0.0004(4) 0.0014(4) 0.0013(4) C40 0.0158(6) 0.0131(5) 0.0100(5) 0.0012(4) 0.0008(4) -0.0010(4) C41 0.0129(5) 0.0145(5) 0.0107(5) 0.0012(4) 0.0015(4) 0.0007(4) C42 0.0143(5) 0.0118(5) 0.0122(5) 0.0016(4) 0.0019(4) -0.0002(4) C43 0.0149(5) 0.0160(6) 0.0105(5) 0.0001(4) 0.0017(4) 0.0008(4) C44 0.0172(6) 0.0169(6) 0.0110(5) 0.0024(4) 0.0016(4) 0.0017(5) C45 0.0149(5) 0.0143(5) 0.0133(5) 0.0016(4) 0.0031(4) 0.0016(4) C46 0.0138(5) 0.0144(6) 0.0123(5) -0.0005(4) 0.0021(4) 0.0013(4) C47 0.0189(6) 0.0179(6) 0.0118(5) 0.0001(4) -0.0002(4) 0.0057(5) C48 0.0249(7) 0.0296(8) 0.0129(6) 0.0007(5) -0.0022(5) 0.0111(6) C49 0.0302(8) 0.0180(7) 0.0251(7) 0.0002(5) -0.0048(6) 0.0068(6) C50 0.0181(6) 0.0306(8) 0.0199(6) 0.0014(6) 0.0021(5) 0.0055(6) C51 0.0184(6) 0.0195(6) 0.0113(5) 0.0003(4) 0.0027(4) 0.0035(5) C52 0.0279(7) 0.0354(8) 0.0117(6) 0.0014(5) 0.0042(5) 0.0104(6) C53 0.0214(7) 0.0394(9) 0.0211(7) -0.0020(6) 0.0061(5) -0.0018(6) C54 0.0367(8) 0.0208(7) 0.0232(7) -0.0028(5) 0.0093(6) 0.0068(6) C55 0.0216(6) 0.0183(6) 0.0107(5) -0.0013(4) 0.0005(5) -0.0007(5) C56 0.0306(8) 0.0335(8) 0.0172(6) -0.0015(6) -0.0014(6) -0.0137(7) C57 0.0315(8) 0.0200(7) 0.0155(6) -0.0022(5) 0.0028(5) 0.0059(6) C58 0.0273(7) 0.0255(7) 0.0113(5) -0.0024(5) -0.0022(5) 0.0057(6) C59 0.0201(6) 0.0132(6) 0.0160(6) 0.0024(4) 0.0024(5) 0.0012(5) C60 0.0279(8) 0.0181(7) 0.0310(8) 0.0042(6) -0.0049(6) 0.0052(6) C61 0.0329(8) 0.0199(7) 0.0253(7) 0.0050(5) 0.0124(6) -0.0016(6) C62 0.0313(8) 0.0134(6) 0.0211(6) -0.0007(5) 0.0030(6) -0.0005(5) C63 0.0240(7) 0.0187(6) 0.0234(7) -0.0021(5) 0.0127(5) 0.0024(5) C64 0.0224(7) 0.0208(7) 0.0181(6) -0.0006(5) 0.0108(5) 0.0003(5) C65 0.368(8) 0.094(4) 0.138(5) -0.004(3) 0.063(6) 0.121(5) C66 0.364(8) 0.156(6) 0.100(3) -0.011(3) -0.067(5) 0.132(6) C67 0.180(4) 0.179(5) 0.092(3) -0.055(3) -0.057(3) 0.122(4) C68 0.151(5) 0.297(10) 0.266(8) -0.082(7) -0.102(5) 0.111(6) C69 0.113(5) 0.310(11) 0.341(11) -0.174(9) 0.034(6) 0.040(5) _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 2.0233(12) . ? Rh1 P1 2.2076(3) . ? Rh1 P2 2.2165(3) . ? Rh1 C64 2.2184(14) . ? Rh1 C63 2.2353(14) . ? P1 O2 1.6053(9) . ? P1 O1 1.6187(10) . ? P1 O3 1.6194(10) . ? P2 O6 1.5974(10) . ? P2 O4 1.6220(10) . ? P2 O5 1.6234(10) . ? O1 C2 1.4030(15) . ? O2 C7 1.4039(15) . ? O3 C14 1.4015(16) . ? O4 C6 1.4051(15) . ? O5 C35 1.4036(15) . ? O6 C42 1.3941(15) . ? C1 C2 1.3947(18) . ? C1 C6 1.3947(17) . ? C2 C3 1.3896(18) . ? C3 C4 1.395(2) . ? C3 H3 0.9500 . ? C4 C5 1.389(2) . ? C4 H4 0.9500 . ? C5 C6 1.3870(18) . ? C5 H5 0.9500 . ? C7 C12 1.3915(18) . ? C7 C8 1.4030(17) . ? C8 C9 1.3984(18) . ? C8 C19 1.5389(18) . ? C9 C10 1.4036(19) . ? C9 H9 0.9500 . ? C10 C11 1.3900(19) . ? C10 C23 1.5343(19) . ? C11 C12 1.4016(18) . ? C11 H11 0.9500 . ? C12 C13 1.4853(18) . ? C13 C18 1.3972(19) . ? C13 C14 1.3981(18) . ? C14 C15 1.4022(18) . ? C15 C16 1.4009(19) . ? C15 C27 1.5455(19) . ? C16 C17 1.395(2) . ? C16 H16 0.9500 . ? C17 C18 1.3888(19) . ? C17 C31 1.530(2) . ? C18 H18 0.9500 . ? C19 C22 1.5390(19) . ? C19 C21 1.5396(19) . ? C19 C20 1.5446(19) . ? C20 H20A 0.9800 . ? C20 H20B 0.9800 . ? C20 H20C 0.9800 . ? C21 H21A 0.9800 . ? C21 H21B 0.9799 . ? C21 H21C 0.9800 . ? C22 H22A 0.9800 . ? C22 H22B 0.9800 . ? C22 H22C 0.9800 . ? C23 C25 1.533(2) . ? C23 C26 1.536(2) . ? C23 C24 1.536(2) . ? C24 H24A 0.9800 . ? C24 H24B 0.9800 . ? C24 H24C 0.9800 . ? C25 H25A 0.9800 . ? C25 H25B 0.9800 . ? C25 H25C 0.9800 . ? C26 H26A 0.9800 . ? C26 H26B 0.9800 . ? C26 H26C 0.9800 . ? C27 C30 1.528(2) . ? C27 C29 1.533(2) . ? C27 C28 1.549(2) . ? C28 H28A 0.9800 . ? C28 H28B 0.9800 . ? C28 H28C 0.9800 . ? C29 H29A 0.9800 . ? C29 H29B 0.9800 . ? C29 H29C 0.9800 . ? C30 H30A 0.9800 . ? C30 H30B 0.9800 . ? C30 H30C 0.9800 . ? C31 C34 1.534(2) . ? C31 C33 1.537(2) . ? C31 C32 1.539(2) . ? C32 H32A 0.9800 . ? C32 H32B 0.9800 . ? C32 H32C 0.9800 . ? C33 H33A 0.9800 . ? C33 H33B 0.9800 . ? C33 H33C 0.9800 . ? C34 H34A 0.9800 . ? C34 H34B 0.9800 . ? C34 H34C 0.9800 . ? C35 C40 1.3951(17) . ? C35 C36 1.4037(17) . ? C36 C37 1.4012(18) . ? C36 C47 1.5412(18) . ? C37 C38 1.3968(18) . ? C37 H37 0.9500 . ? C38 C39 1.3988(17) . ? C38 C51 1.5333(18) . ? C39 C40 1.3962(17) . ? C39 H39 0.9500 . ? C40 C41 1.4935(17) . ? C41 C42 1.3932(17) . ? C41 C46 1.4023(17) . ? C42 C43 1.4078(17) . ? C43 C44 1.3935(18) . ? C43 C55 1.5391(18) . ? C44 C45 1.4000(18) . ? C44 H44 0.9500 . ? C45 C46 1.3896(17) . ? C45 C59 1.5330(18) . ? C46 H46 0.9499 . ? C47 C49 1.535(2) . ? C47 C48 1.5372(18) . ? C47 C50 1.541(2) . ? C48 H48A 0.9800 . ? C48 H48B 0.9800 . ? C48 H48C 0.9800 . ? C49 H49A 0.9800 . ? C49 H49B 0.9800 . ? C49 H49C 0.9800 . ? C50 H50A 0.9801 . ? C50 H50B 0.9800 . ? C50 H50C 0.9800 . ? C51 C52 1.5315(18) . ? C51 C54 1.535(2) . ? C51 C53 1.539(2) . ? C52 H52A 0.9800 . ? C52 H52B 0.9800 . ? C52 H52C 0.9800 . ? C53 H53A 0.9800 . ? C53 H53B 0.9800 . ? C53 H53C 0.9800 . ? C54 H54A 0.9800 . ? C54 H54B 0.9800 . ? C54 H54C 0.9800 . ? C55 C57 1.538(2) . ? C55 C58 1.5404(19) . ? C55 C56 1.544(2) . ? C56 H56A 0.9800 . ? C56 H56B 0.9800 . ? C56 H56C 0.9800 . ? C57 H57A 0.9800 . ? C57 H57B 0.9800 . ? C57 H57C 0.9800 . ? C58 H58A 0.9800 . ? C58 H58B 0.9800 . ? C58 H58C 0.9800 . ? C59 C62 1.5319(19) . ? C59 C61 1.535(2) . ? C59 C60 1.540(2) . ? C60 H60A 0.9800 . ? C60 H60B 0.9800 . ? C60 H60C 0.9800 . ? C61 H61A 0.9800 . ? C61 H61B 0.9800 . ? C61 H61C 0.9800 . ? C62 H62A 0.9800 . ? C62 H62B 0.9800 . ? C62 H62C 0.9800 . ? C63 C64 1.377(2) . ? C63 H63A 0.926(14) . ? C63 H63B 0.947(15) . ? C64 H64A 0.953(14) . ? C64 H64B 0.964(14) . ? C65 C66 1.550(11) . ? C65 H65A 0.9800 . ? C65 H65B 0.9800 . ? C65 H65C 0.9800 . ? C66 C67 1.506(10) . ? C66 H66A 0.9900 . ? C66 H66B 0.9900 . ? C67 C68 1.505(11) . ? C67 H67A 0.9900 . ? C67 H67B 0.9900 . ? C68 C69 1.423(12) . ? C68 H68A 0.9900 . ? C68 H68B 0.9900 . ? C69 H69A 0.9800 . ? C69 H69B 0.9800 . ? C69 H69C 0.9800 . ? 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 P1 77.68(4) . . ? C1 Rh1 P2 77.87(4) . . ? P1 Rh1 P2 155.490(13) . . ? C1 Rh1 C64 160.39(5) . . ? P1 Rh1 C64 83.21(4) . . ? P2 Rh1 C64 121.30(4) . . ? C1 Rh1 C63 163.41(5) . . ? P1 Rh1 C63 118.91(4) . . ? P2 Rh1 C63 85.54(4) . . ? C64 Rh1 C63 36.01(5) . . ? O2 P1 O1 105.75(5) . . ? O2 P1 O3 103.74(5) . . ? O1 P1 O3 95.53(5) . . ? O2 P1 Rh1 114.13(4) . . ? O1 P1 Rh1 110.47(4) . . ? O3 P1 Rh1 124.51(4) . . ? O6 P2 O4 105.11(5) . . ? O6 P2 O5 103.56(5) . . ? O4 P2 O5 95.35(5) . . ? O6 P2 Rh1 113.70(4) . . ? O4 P2 Rh1 110.00(4) . . ? O5 P2 Rh1 126.12(4) . . ? C2 O1 P1 111.77(8) . . ? C7 O2 P1 123.72(8) . . ? C14 O3 P1 120.55(8) . . ? C6 O4 P2 111.77(8) . . ? C35 O5 P2 115.25(8) . . ? C42 O6 P2 131.16(8) . . ? C2 C1 C6 115.07(11) . . ? C2 C1 Rh1 122.46(9) . . ? C6 C1 Rh1 122.43(9) . . ? C3 C2 C1 124.05(12) . . ? C3 C2 O1 118.61(12) . . ? C1 C2 O1 117.34(11) . . ? C2 C3 C4 117.72(13) . . ? C2 C3 H3 121.1 . . ? C4 C3 H3 121.2 . . ? C5 C4 C3 121.08(12) . . ? C5 C4 H4 119.5 . . ? C3 C4 H4 119.4 . . ? C6 C5 C4 118.28(12) . . ? C6 C5 H5 120.9 . . ? C4 C5 H5 120.9 . . ? C5 C6 C1 123.77(12) . . ? C5 C6 O4 118.76(11) . . ? C1 C6 O4 117.46(11) . . ? C12 C7 C8 123.16(12) . . ? C12 C7 O2 117.28(11) . . ? C8 C7 O2 119.32(11) . . ? C9 C8 C7 115.46(12) . . ? C9 C8 C19 122.03(11) . . ? C7 C8 C19 122.38(11) . . ? C8 C9 C10 123.55(12) . . ? C8 C9 H9 118.2 . . ? C10 C9 H9 118.2 . . ? C11 C10 C9 117.86(12) . . ? C11 C10 C23 122.28(12) . . ? C9 C10 C23 119.86(12) . . ? C10 C11 C12 121.13(13) . . ? C10 C11 H11 119.4 . . ? C12 C11 H11 119.4 . . ? C7 C12 C11 118.26(12) . . ? C7 C12 C13 122.13(12) . . ? C11 C12 C13 119.47(12) . . ? C18 C13 C14 118.50(12) . . ? C18 C13 C12 118.61(12) . . ? C14 C13 C12 122.89(12) . . ? C13 C14 O3 116.81(11) . . ? C13 C14 C15 122.45(12) . . ? O3 C14 C15 120.55(12) . . ? C16 C15 C14 115.72(12) . . ? C16 C15 C27 120.44(12) . . ? C14 C15 C27 123.75(12) . . ? C17 C16 C15 123.93(13) . . ? C17 C16 H16 118.0 . . ? C15 C16 H16 118.0 . . ? C18 C17 C16 117.52(13) . . ? C18 C17 C31 120.34(13) . . ? C16 C17 C31 122.11(13) . . ? C17 C18 C13 121.51(13) . . ? C17 C18 H18 119.3 . . ? C13 C18 H18 119.2 . . ? C8 C19 C22 111.26(11) . . ? C8 C19 C21 111.81(10) . . ? C22 C19 C21 107.84(11) . . ? C8 C19 C20 109.61(11) . . ? C22 C19 C20 107.22(11) . . ? C21 C19 C20 108.96(11) . . ? C19 C20 H20A 109.5 . . ? C19 C20 H20B 109.4 . . ? H20A C20 H20B 109.5 . . ? C19 C20 H20C 109.5 . . ? H20A C20 H20C 109.5 . . ? H20B C20 H20C 109.5 . . ? C19 C21 H21A 109.4 . . ? C19 C21 H21B 109.5 . . ? H21A C21 H21B 109.5 . . ? C19 C21 H21C 109.5 . . ? H21A C21 H21C 109.5 . . ? H21B C21 H21C 109.5 . . ? C19 C22 H22A 109.5 . . ? C19 C22 H22B 109.5 . . ? H22A C22 H22B 109.5 . . ? C19 C22 H22C 109.4 . . ? H22A C22 H22C 109.5 . . ? H22B C22 H22C 109.5 . . ? C25 C23 C10 112.08(12) . . ? C25 C23 C26 108.44(14) . . ? C10 C23 C26 108.67(12) . . ? C25 C23 C24 108.29(14) . . ? C10 C23 C24 109.95(12) . . ? C26 C23 C24 109.36(12) . . ? C23 C24 H24A 109.5 . . ? C23 C24 H24B 109.5 . . ? H24A C24 H24B 109.5 . . ? C23 C24 H24C 109.4 . . ? H24A C24 H24C 109.5 . . ? H24B C24 H24C 109.5 . . ? C23 C25 H25A 109.4 . . ? C23 C25 H25B 109.5 . . ? H25A C25 H25B 109.5 . . ? C23 C25 H25C 109.5 . . ? H25A C25 H25C 109.5 . . ? H25B C25 H25C 109.5 . . ? C23 C26 H26A 109.4 . . ? C23 C26 H26B 109.5 . . ? H26A C26 H26B 109.5 . . ? C23 C26 H26C 109.5 . . ? H26A C26 H26C 109.5 . . ? H26B C26 H26C 109.5 . . ? C30 C27 C29 107.52(14) . . ? C30 C27 C15 112.29(12) . . ? C29 C27 C15 111.69(13) . . ? C30 C27 C28 109.35(14) . . ? C29 C27 C28 106.66(13) . . ? C15 C27 C28 109.15(13) . . ? C27 C28 H28A 109.4 . . ? C27 C28 H28B 109.5 . . ? H28A C28 H28B 109.5 . . ? C27 C28 H28C 109.4 . . ? H28A C28 H28C 109.5 . . ? H28B C28 H28C 109.5 . . ? C27 C29 H29A 109.4 . . ? C27 C29 H29B 109.5 . . ? H29A C29 H29B 109.5 . . ? C27 C29 H29C 109.5 . . ? H29A C29 H29C 109.5 . . ? H29B C29 H29C 109.5 . . ? C27 C30 H30A 109.4 . . ? C27 C30 H30B 109.6 . . ? H30A C30 H30B 109.5 . . ? C27 C30 H30C 109.5 . . ? H30A C30 H30C 109.5 . . ? H30B C30 H30C 109.5 . . ? C17 C31 C34 111.75(13) . . ? C17 C31 C33 109.17(13) . . ? C34 C31 C33 108.92(13) . . ? C17 C31 C32 110.36(12) . . ? C34 C31 C32 107.28(15) . . ? C33 C31 C32 109.32(15) . . ? C31 C32 H32A 109.5 . . ? C31 C32 H32B 109.5 . . ? H32A C32 H32B 109.5 . . ? C31 C32 H32C 109.5 . . ? H32A C32 H32C 109.5 . . ? H32B C32 H32C 109.5 . . ? C31 C33 H33A 109.4 . . ? C31 C33 H33B 109.5 . . ? H33A C33 H33B 109.5 . . ? C31 C33 H33C 109.5 . . ? H33A C33 H33C 109.5 . . ? H33B C33 H33C 109.5 . . ? C31 C34 H34A 109.6 . . ? C31 C34 H34B 109.4 . . ? H34A C34 H34B 109.5 . . ? C31 C34 H34C 109.4 . . ? H34A C34 H34C 109.5 . . ? H34B C34 H34C 109.5 . . ? C40 C35 O5 117.16(11) . . ? C40 C35 C36 122.74(11) . . ? O5 C35 C36 120.10(11) . . ? C37 C36 C35 115.90(11) . . ? C37 C36 C47 121.68(11) . . ? C35 C36 C47 122.41(11) . . ? C38 C37 C36 123.40(11) . . ? C38 C37 H37 118.3 . . ? C36 C37 H37 118.3 . . ? C37 C38 C39 117.47(12) . . ? C37 C38 C51 122.99(11) . . ? C39 C38 C51 119.52(11) . . ? C40 C39 C38 121.61(12) . . ? C40 C39 H39 119.2 . . ? C38 C39 H39 119.2 . . ? C35 C40 C39 118.01(11) . . ? C35 C40 C41 122.73(11) . . ? C39 C40 C41 119.21(11) . . ? C42 C41 C46 118.14(11) . . ? C42 C41 C40 124.14(11) . . ? C46 C41 C40 117.66(11) . . ? C41 C42 O6 119.78(11) . . ? C41 C42 C43 122.49(11) . . ? O6 C42 C43 117.35(11) . . ? C44 C43 C42 116.18(11) . . ? C44 C43 C55 121.06(11) . . ? C42 C43 C55 122.74(11) . . ? C43 C44 C45 123.57(12) . . ? C43 C44 H44 118.2 . . ? C45 C44 H44 118.2 . . ? C46 C45 C44 117.54(12) . . ? C46 C45 C59 123.00(11) . . ? C44 C45 C59 119.46(11) . . ? C45 C46 C41 121.74(12) . . ? C45 C46 H46 119.1 . . ? C41 C46 H46 119.2 . . ? C49 C47 C48 107.24(12) . . ? C49 C47 C50 110.28(12) . . ? C48 C47 C50 106.95(12) . . ? C49 C47 C36 111.35(11) . . ? C48 C47 C36 111.02(11) . . ? C50 C47 C36 109.88(11) . . ? C47 C48 H48A 109.5 . . ? C47 C48 H48B 109.6 . . ? H48A C48 H48B 109.5 . . ? C47 C48 H48C 109.4 . . ? H48A C48 H48C 109.5 . . ? H48B C48 H48C 109.5 . . ? C47 C49 H49A 109.4 . . ? C47 C49 H49B 109.5 . . ? H49A C49 H49B 109.5 . . ? C47 C49 H49C 109.5 . . ? H49A C49 H49C 109.5 . . ? H49B C49 H49C 109.5 . . ? C47 C50 H50A 109.4 . . ? C47 C50 H50B 109.5 . . ? H50A C50 H50B 109.5 . . ? C47 C50 H50C 109.5 . . ? H50A C50 H50C 109.5 . . ? H50B C50 H50C 109.5 . . ? C52 C51 C38 112.64(11) . . ? C52 C51 C54 108.58(12) . . ? C38 C51 C54 110.02(11) . . ? C52 C51 C53 107.94(12) . . ? C38 C51 C53 108.41(11) . . ? C54 C51 C53 109.19(12) . . ? C51 C52 H52A 109.4 . . ? C51 C52 H52B 109.5 . . ? H52A C52 H52B 109.5 . . ? C51 C52 H52C 109.5 . . ? H52A C52 H52C 109.5 . . ? H52B C52 H52C 109.5 . . ? C51 C53 H53A 109.5 . . ? C51 C53 H53B 109.5 . . ? H53A C53 H53B 109.5 . . ? C51 C53 H53C 109.5 . . ? H53A C53 H53C 109.5 . . ? H53B C53 H53C 109.5 . . ? C51 C54 H54A 109.5 . . ? C51 C54 H54B 109.5 . . ? H54A C54 H54B 109.5 . . ? C51 C54 H54C 109.4 . . ? H54A C54 H54C 109.5 . . ? H54B C54 H54C 109.5 . . ? C57 C55 C43 110.20(11) . . ? C57 C55 C58 108.35(11) . . ? C43 C55 C58 110.74(11) . . ? C57 C55 C56 110.40(12) . . ? C43 C55 C56 110.97(11) . . ? C58 C55 C56 106.06(12) . . ? C55 C56 H56A 109.6 . . ? C55 C56 H56B 109.4 . . ? H56A C56 H56B 109.5 . . ? C55 C56 H56C 109.4 . . ? H56A C56 H56C 109.5 . . ? H56B C56 H56C 109.5 . . ? C55 C57 H57A 109.4 . . ? C55 C57 H57B 109.4 . . ? H57A C57 H57B 109.5 . . ? C55 C57 H57C 109.6 . . ? H57A C57 H57C 109.5 . . ? H57B C57 H57C 109.5 . . ? C55 C58 H58A 109.5 . . ? C55 C58 H58B 109.5 . . ? H58A C58 H58B 109.5 . . ? C55 C58 H58C 109.4 . . ? H58A C58 H58C 109.5 . . ? H58B C58 H58C 109.5 . . ? C62 C59 C45 111.88(11) . . ? C62 C59 C61 108.41(12) . . ? C45 C59 C61 108.28(11) . . ? C62 C59 C60 108.34(12) . . ? C45 C59 C60 111.03(11) . . ? C61 C59 C60 108.82(12) . . ? C59 C60 H60A 109.5 . . ? C59 C60 H60B 109.5 . . ? H60A C60 H60B 109.5 . . ? C59 C60 H60C 109.4 . . ? H60A C60 H60C 109.5 . . ? H60B C60 H60C 109.5 . . ? C59 C61 H61A 109.4 . . ? C59 C61 H61B 109.5 . . ? H61A C61 H61B 109.5 . . ? C59 C61 H61C 109.5 . . ? H61A C61 H61C 109.5 . . ? H61B C61 H61C 109.5 . . ? C59 C62 H62A 109.5 . . ? C59 C62 H62B 109.5 . . ? H62A C62 H62B 109.5 . . ? C59 C62 H62C 109.5 . . ? H62A C62 H62C 109.5 . . ? H62B C62 H62C 109.5 . . ? C64 C63 Rh1 71.32(8) . . ? C64 C63 H63A 122.3(12) . . ? Rh1 C63 H63A 107.9(12) . . ? C64 C63 H63B 120.4(12) . . ? Rh1 C63 H63B 108.0(12) . . ? H63A C63 H63B 114.4(17) . . ? C63 C64 Rh1 72.66(8) . . ? C63 C64 H64A 120.1(12) . . ? Rh1 C64 H64A 107.5(12) . . ? C63 C64 H64B 120.3(12) . . ? Rh1 C64 H64B 109.2(11) . . ? H64A C64 H64B 115.7(16) . . ? C66 C65 H65A 109.5 . . ? C66 C65 H65B 109.4 . . ? H65A C65 H65B 109.5 . . ? C66 C65 H65C 109.5 . . ? H65A C65 H65C 109.5 . . ? H65B C65 H65C 109.5 . . ? C67 C66 C65 112.8(5) . . ? C67 C66 H66A 109.0 . . ? C65 C66 H66A 109.0 . . ? C67 C66 H66B 109.0 . . ? C65 C66 H66B 109.1 . . ? H66A C66 H66B 107.8 . . ? C68 C67 C66 122.1(6) . . ? C68 C67 H67A 106.8 . . ? C66 C67 H67A 106.8 . . ? C68 C67 H67B 106.8 . . ? C66 C67 H67B 106.8 . . ? H67A C67 H67B 106.6 . . ? C69 C68 C67 120.1(7) . . ? C69 C68 H68A 107.3 . . ? C67 C68 H68A 107.3 . . ? C69 C68 H68B 107.3 . . ? C67 C68 H68B 107.3 . . ? H68A C68 H68B 106.9 . . ? C68 C69 H69A 109.5 . . ? C68 C69 H69B 109.4 . . ? H69A C69 H69B 109.5 . . ? C68 C69 H69C 109.5 . . ? H69A C69 H69C 109.5 . . ? H69B C69 H69C 109.5 . . ? 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 O2 123.14(5) . . . . ? P2 Rh1 P1 O2 126.91(5) . . . . ? C64 Rh1 P1 O2 -52.44(6) . . . . ? C63 Rh1 P1 O2 -57.34(6) . . . . ? C1 Rh1 P1 O1 4.15(5) . . . . ? P2 Rh1 P1 O1 7.92(5) . . . . ? C64 Rh1 P1 O1 -171.43(6) . . . . ? C63 Rh1 P1 O1 -176.33(6) . . . . ? C1 Rh1 P1 O3 -108.27(6) . . . . ? P2 Rh1 P1 O3 -104.50(5) . . . . ? C64 Rh1 P1 O3 76.16(6) . . . . ? C63 Rh1 P1 O3 71.26(7) . . . . ? C1 Rh1 P2 O6 122.04(5) . . . . ? P1 Rh1 P2 O6 118.27(5) . . . . ? C64 Rh1 P2 O6 -62.49(6) . . . . ? C63 Rh1 P2 O6 -58.00(6) . . . . ? C1 Rh1 P2 O4 4.48(5) . . . . ? P1 Rh1 P2 O4 0.72(6) . . . . ? C64 Rh1 P2 O4 179.96(6) . . . . ? C63 Rh1 P2 O4 -175.55(6) . . . . ? C1 Rh1 P2 O5 -108.37(6) . . . . ? P1 Rh1 P2 O5 -112.13(5) . . . . ? C64 Rh1 P2 O5 67.11(7) . . . . ? C63 Rh1 P2 O5 71.59(6) . . . . ? O2 P1 O1 C2 -127.13(8) . . . . ? O3 P1 O1 C2 126.89(8) . . . . ? Rh1 P1 O1 C2 -3.17(9) . . . . ? O1 P1 O2 C7 -56.19(11) . . . . ? O3 P1 O2 C7 43.71(11) . . . . ? Rh1 P1 O2 C7 -177.82(8) . . . . ? O2 P1 O3 C14 46.87(10) . . . . ? O1 P1 O3 C14 154.60(9) . . . . ? Rh1 P1 O3 C14 -85.88(10) . . . . ? O6 P2 O4 C6 -130.12(8) . . . . ? O5 P2 O4 C6 124.25(9) . . . . ? Rh1 P2 O4 C6 -7.36(9) . . . . ? O6 P2 O5 C35 70.34(9) . . . . ? O4 P2 O5 C35 177.30(8) . . . . ? Rh1 P2 O5 C35 -63.12(9) . . . . ? O4 P2 O6 C42 -90.61(11) . . . . ? O5 P2 O6 C42 8.85(12) . . . . ? Rh1 P2 O6 C42 149.04(10) . . . . ? P1 Rh1 C1 C2 -5.18(10) . . . . ? P2 Rh1 C1 C2 176.42(11) . . . . ? C64 Rh1 C1 C2 8.0(2) . . . . ? C63 Rh1 C1 C2 176.28(16) . . . . ? P1 Rh1 C1 C6 177.17(11) . . . . ? P2 Rh1 C1 C6 -1.24(10) . . . . ? C64 Rh1 C1 C6 -169.65(14) . . . . ? C63 Rh1 C1 C6 -1.4(3) . . . . ? C6 C1 C2 C3 2.02(19) . . . . ? Rh1 C1 C2 C3 -175.80(10) . . . . ? C6 C1 C2 O1 -177.30(11) . . . . ? Rh1 C1 C2 O1 4.88(16) . . . . ? P1 O1 C2 C3 -179.95(10) . . . . ? P1 O1 C2 C1 -0.60(14) . . . . ? C1 C2 C3 C4 -1.1(2) . . . . ? O1 C2 C3 C4 178.26(11) . . . . ? C2 C3 C4 C5 -0.4(2) . . . . ? C3 C4 C5 C6 0.8(2) . . . . ? C4 C5 C6 C1 0.3(2) . . . . ? C4 C5 C6 O4 179.58(12) . . . . ? C2 C1 C6 C5 -1.62(19) . . . . ? Rh1 C1 C6 C5 176.20(10) . . . . ? C2 C1 C6 O4 179.08(11) . . . . ? Rh1 C1 C6 O4 -3.11(16) . . . . ? P2 O4 C6 C5 -172.44(10) . . . . ? P2 O4 C6 C1 6.90(14) . . . . ? P1 O2 C7 C12 -66.32(14) . . . . ? P1 O2 C7 C8 119.13(11) . . . . ? C12 C7 C8 C9 8.19(19) . . . . ? O2 C7 C8 C9 -177.60(11) . . . . ? C12 C7 C8 C19 -167.71(12) . . . . ? O2 C7 C8 C19 6.50(18) . . . . ? C7 C8 C9 C10 -2.48(19) . . . . ? C19 C8 C9 C10 173.44(12) . . . . ? C8 C9 C10 C11 -3.5(2) . . . . ? C8 C9 C10 C23 176.04(13) . . . . ? C9 C10 C11 C12 4.2(2) . . . . ? C23 C10 C11 C12 -175.29(13) . . . . ? C8 C7 C12 C11 -7.6(2) . . . . ? O2 C7 C12 C11 178.05(12) . . . . ? C8 C7 C12 C13 168.04(12) . . . . ? O2 C7 C12 C13 -6.28(18) . . . . ? C10 C11 C12 C7 1.0(2) . . . . ? C10 C11 C12 C13 -174.75(13) . . . . ? C7 C12 C13 C18 -127.34(14) . . . . ? C11 C12 C13 C18 48.29(19) . . . . ? C7 C12 C13 C14 53.56(19) . . . . ? C11 C12 C13 C14 -130.82(14) . . . . ? C18 C13 C14 O3 179.16(12) . . . . ? C12 C13 C14 O3 -1.73(19) . . . . ? C18 C13 C14 C15 -5.9(2) . . . . ? C12 C13 C14 C15 173.25(13) . . . . ? P1 O3 C14 C13 -71.02(14) . . . . ? P1 O3 C14 C15 113.90(12) . . . . ? C13 C14 C15 C16 6.7(2) . . . . ? O3 C14 C15 C16 -178.54(12) . . . . ? C13 C14 C15 C27 -169.90(13) . . . . ? O3 C14 C15 C27 4.9(2) . . . . ? C14 C15 C16 C17 -2.4(2) . . . . ? C27 C15 C16 C17 174.32(14) . . . . ? C15 C16 C17 C18 -2.6(2) . . . . ? C15 C16 C17 C31 179.46(14) . . . . ? C16 C17 C18 C13 3.6(2) . . . . ? C31 C17 C18 C13 -178.44(14) . . . . ? C14 C13 C18 C17 0.5(2) . . . . ? C12 C13 C18 C17 -178.68(13) . . . . ? C9 C8 C19 C22 -2.59(17) . . . . ? C7 C8 C19 C22 173.04(12) . . . . ? C9 C8 C19 C21 118.05(14) . . . . ? C7 C8 C19 C21 -66.31(16) . . . . ? C9 C8 C19 C20 -121.01(13) . . . . ? C7 C8 C19 C20 54.63(16) . . . . ? C11 C10 C23 C25 0.2(2) . . . . ? C9 C10 C23 C25 -179.33(15) . . . . ? C11 C10 C23 C26 120.03(15) . . . . ? C9 C10 C23 C26 -59.50(17) . . . . ? C11 C10 C23 C24 -120.31(15) . . . . ? C9 C10 C23 C24 60.16(18) . . . . ? C16 C15 C27 C30 115.23(16) . . . . ? C14 C15 C27 C30 -68.35(19) . . . . ? C16 C15 C27 C29 -5.6(2) . . . . ? C14 C15 C27 C29 170.77(14) . . . . ? C16 C15 C27 C28 -123.34(15) . . . . ? C14 C15 C27 C28 53.07(18) . . . . ? C18 C17 C31 C34 168.80(14) . . . . ? C16 C17 C31 C34 -13.3(2) . . . . ? C18 C17 C31 C33 -70.65(18) . . . . ? C16 C17 C31 C33 107.25(17) . . . . ? C18 C17 C31 C32 49.5(2) . . . . ? C16 C17 C31 C32 -132.58(17) . . . . ? P2 O5 C35 C40 -70.48(13) . . . . ? P2 O5 C35 C36 110.15(12) . . . . ? C40 C35 C36 C37 9.09(19) . . . . ? O5 C35 C36 C37 -171.58(11) . . . . ? C40 C35 C36 C47 -169.57(12) . . . . ? O5 C35 C36 C47 9.76(19) . . . . ? C35 C36 C37 C38 -1.6(2) . . . . ? C47 C36 C37 C38 177.05(12) . . . . ? C36 C37 C38 C39 -5.7(2) . . . . ? C36 C37 C38 C51 172.93(13) . . . . ? C37 C38 C39 C40 6.03(19) . . . . ? C51 C38 C39 C40 -172.61(12) . . . . ? O5 C35 C40 C39 171.83(11) . . . . ? C36 C35 C40 C39 -8.82(19) . . . . ? O5 C35 C40 C41 -10.59(18) . . . . ? C36 C35 C40 C41 168.76(12) . . . . ? C38 C39 C40 C35 0.87(19) . . . . ? C38 C39 C40 C41 -176.80(12) . . . . ? C35 C40 C41 C42 51.63(19) . . . . ? C39 C40 C41 C42 -130.82(13) . . . . ? C35 C40 C41 C46 -131.19(13) . . . . ? C39 C40 C41 C46 46.37(17) . . . . ? C46 C41 C42 O6 -178.77(11) . . . . ? C40 C41 C42 O6 -1.60(19) . . . . ? C46 C41 C42 C43 -5.94(19) . . . . ? C40 C41 C42 C43 171.23(12) . . . . ? P2 O6 C42 C41 -46.51(17) . . . . ? P2 O6 C42 C43 140.30(11) . . . . ? C41 C42 C43 C44 6.68(19) . . . . ? O6 C42 C43 C44 179.68(11) . . . . ? C41 C42 C43 C55 -171.54(12) . . . . ? O6 C42 C43 C55 1.45(18) . . . . ? C42 C43 C44 C45 -2.72(19) . . . . ? C55 C43 C44 C45 175.53(12) . . . . ? C43 C44 C45 C46 -1.8(2) . . . . ? C43 C44 C45 C59 177.28(12) . . . . ? C44 C45 C46 C41 2.67(19) . . . . ? C59 C45 C46 C41 -176.36(12) . . . . ? C42 C41 C46 C45 1.04(19) . . . . ? C40 C41 C46 C45 -176.32(12) . . . . ? C37 C36 C47 C49 111.10(14) . . . . ? C35 C36 C47 C49 -70.32(16) . . . . ? C37 C36 C47 C48 -8.32(18) . . . . ? C35 C36 C47 C48 170.26(13) . . . . ? C37 C36 C47 C50 -126.43(13) . . . . ? C35 C36 C47 C50 52.16(16) . . . . ? C37 C38 C51 C52 3.62(19) . . . . ? C39 C38 C51 C52 -177.81(13) . . . . ? C37 C38 C51 C54 124.91(14) . . . . ? C39 C38 C51 C54 -56.53(16) . . . . ? C37 C38 C51 C53 -115.76(14) . . . . ? C39 C38 C51 C53 62.81(16) . . . . ? C44 C43 C55 C57 112.56(14) . . . . ? C42 C43 C55 C57 -69.30(16) . . . . ? C44 C43 C55 C58 -7.32(18) . . . . ? C42 C43 C55 C58 170.82(12) . . . . ? C44 C43 C55 C56 -124.83(14) . . . . ? C42 C43 C55 C56 53.31(17) . . . . ? C46 C45 C59 C62 -9.47(18) . . . . ? C44 C45 C59 C62 171.53(12) . . . . ? C46 C45 C59 C61 109.94(14) . . . . ? C44 C45 C59 C61 -69.06(16) . . . . ? C46 C45 C59 C60 -130.65(14) . . . . ? C44 C45 C59 C60 50.34(17) . . . . ? C1 Rh1 C63 C64 -173.34(16) . . . . ? P1 Rh1 C63 C64 8.29(11) . . . . ? P2 Rh1 C63 C64 -173.47(9) . . . . ? C1 Rh1 C64 C63 174.34(14) . . . . ? P1 Rh1 C64 C63 -172.70(9) . . . . ? P2 Rh1 C64 C63 7.62(11) . . . . ? C65 C66 C67 C68 176.1(6) . . . . ? C66 C67 C68 C69 -179.4(8) . . . . ? _diffrn_measured_fraction_theta_max 0.999 _diffrn_reflns_theta_full 30.52 _diffrn_measured_fraction_theta_full 0.999 _refine_diff_density_max 0.883 _refine_diff_density_min -0.796 _refine_diff_density_rms 0.067 # Attachment '5b.cif' data_ea10606a _database_code_depnum_ccdc_archive 'CCDC 625417' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_absolute_configuration ad _chemical_formula_moiety 'C56 H71 O6 P2 Rh' _chemical_formula_sum 'C56 H71 O6 P2 Rh' _chemical_formula_weight 1004.98 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' Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Orthorhombic _symmetry_space_group_name_H-M P2(1)2(1)2(1) _symmetry_space_group_name_Hall 'P 2ac 2ab' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, -y, z+1/2' '-x, y+1/2, -z+1/2' 'x+1/2, -y+1/2, -z' _cell_length_a 10.4092(11) _cell_length_b 18.8544(18) _cell_length_c 26.636(3) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 5227.6(9) _cell_formula_units_Z 4 _cell_measurement_temperature 100(2) _cell_measurement_reflns_used 6094 _cell_measurement_theta_min 2.48 _cell_measurement_theta_max 26.96 _exptl_crystal_description prism _exptl_crystal_colour yellow _exptl_crystal_size_max 0.36 _exptl_crystal_size_mid 0.16 _exptl_crystal_size_min 0.13 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.277 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 2120 _exptl_absorpt_coefficient_mu 0.436 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.8589 _exptl_absorpt_correction_T_max 0.9455 _exptl_absorpt_process_details ; SADABS v. 2.03: Area-Detector Absorption Correction. (1997-2001) Bruker-AXS within SAINT+ package, v. 6.04 ; _diffrn_ambient_temperature 100(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 'Bruker-Nonius X8Apex II CCD area detector' _diffrn_measurement_method 'phi and omega scans with narrow frames' _diffrn_detector_area_resol_mean 8.26 _diffrn_standards_decay_% 'no decay' _diffrn_reflns_number 45841 _diffrn_reflns_av_R_equivalents 0.0496 _diffrn_reflns_av_sigmaI/netI 0.0492 _diffrn_reflns_limit_h_min -13 _diffrn_reflns_limit_h_max 13 _diffrn_reflns_limit_k_min -16 _diffrn_reflns_limit_k_max 24 _diffrn_reflns_limit_l_min -33 _diffrn_reflns_limit_l_max 34 _diffrn_reflns_theta_min 2.92 _diffrn_reflns_theta_max 27.00 _reflns_number_total 11402 _reflns_number_gt 10348 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'SMART v. 5.625 (Bruker-AXS, 2001)' _computing_cell_refinement 'SAINT+ v. 6.04 (Bruker-AXS, 2001)' _computing_data_reduction 'SAINT+ v. 6.04 (Bruker-AXS, 2001)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'xp program, SHELXTL v. 6.10, BRUKER, 2000' _computing_publication_material 'XCIF program, SHELXTL v.6.10, Bruker, 2000' _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^)+(0.0299P)^2^+2.6931P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881' _refine_ls_abs_structure_Flack -0.018(17) _refine_ls_number_reflns 11402 _refine_ls_number_parameters 602 _refine_ls_number_restraints 10 _refine_ls_R_factor_all 0.0421 _refine_ls_R_factor_gt 0.0352 _refine_ls_wR_factor_ref 0.0747 _refine_ls_wR_factor_gt 0.0717 _refine_ls_goodness_of_fit_ref 1.019 _refine_ls_restrained_S_all 1.020 _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 0.35433(2) 0.988029(10) 0.892055(8) 0.01394(5) Uani 1 1 d . . . P1 P 0.26994(7) 1.09547(3) 0.90195(3) 0.01438(15) Uani 1 1 d . . . P2 P 0.39781(7) 0.88904(4) 0.85103(3) 0.01729(16) Uani 1 1 d . . . O1 O 0.18664(19) 1.11604(10) 0.85296(7) 0.0188(4) Uani 1 1 d . . . O2 O 0.37022(19) 1.15942(8) 0.90804(6) 0.0150(4) Uani 1 1 d . . . O3 O 0.1585(2) 1.11469(9) 0.94183(7) 0.0157(4) Uani 1 1 d . . . O4 O 0.32106(19) 0.88744(11) 0.79842(8) 0.0239(5) Uani 1 1 d . . . O5 O 0.53773(18) 0.87236(9) 0.82696(8) 0.0182(4) Uani 1 1 d . . . O6 O 0.3600(2) 0.81632(9) 0.87776(7) 0.0217(4) Uani 1 1 d . . . C1 C 0.2566(2) 1.00184(14) 0.82730(9) 0.0156(6) Uani 1 1 d . . . C2 C 0.1878(3) 1.06253(14) 0.81668(11) 0.0172(6) Uani 1 1 d . . . C3 C 0.1172(3) 1.07314(16) 0.77318(11) 0.0231(7) Uani 1 1 d . . . H3 H 0.0728 1.1164 0.7673 0.028 Uiso 1 1 d R . . C4 C 0.1140(3) 1.01807(17) 0.73843(11) 0.0250(7) Uani 1 1 d . . . H4 H 0.0645 1.0232 0.7087 0.030 Uiso 1 1 d R . . C5 C 0.1809(3) 0.95646(17) 0.74651(11) 0.0249(7) Uani 1 1 d . . . H5 H 0.1793 0.9192 0.7225 0.030 Uiso 1 1 d R . . C6 C 0.2506(3) 0.94984(15) 0.79023(11) 0.0200(6) Uani 1 1 d . . . C7 C 0.3239(3) 1.22983(13) 0.91076(11) 0.0162(6) Uani 1 1 d . . . C8 C 0.3399(3) 1.27606(14) 0.87083(11) 0.0214(6) Uani 1 1 d . . . C9 C 0.2769(3) 1.34163(15) 0.87716(11) 0.0249(7) Uani 1 1 d . . . H9 H 0.2836 1.3755 0.8509 0.030 Uiso 1 1 d R . . C10 C 0.2064(3) 1.35976(15) 0.91893(12) 0.0229(7) Uani 1 1 d . . . C11 C 0.2001(3) 1.31310(14) 0.95965(11) 0.0188(6) Uani 1 1 d . . . C12 C 0.2626(3) 1.24764(14) 0.95555(10) 0.0152(6) Uani 1 1 d . . . C13 C 0.2591(3) 1.19561(14) 0.99783(10) 0.0154(6) Uani 1 1 d . . . C14 C 0.1948(3) 1.13175(14) 0.99137(10) 0.0151(6) Uani 1 1 d . . . C15 C 0.1612(3) 1.08719(14) 1.03091(10) 0.0191(6) Uani 1 1 d . . . C16 C 0.2148(3) 1.10585(16) 1.07693(12) 0.0275(7) Uani 1 1 d . . . H16 H 0.1969 1.0766 1.1051 0.033 Uiso 1 1 d R . . C17 C 0.2927(3) 1.16446(17) 1.08406(12) 0.0259(7) Uani 1 1 d . . . C18 C 0.3135(3) 1.21144(15) 1.04461(11) 0.0200(6) Uani 1 1 d . . . C19 C 0.4143(4) 1.26386(17) 0.82196(12) 0.0322(8) Uani 1 1 d . . . C20 C 0.4984(5) 1.1991(2) 0.82128(16) 0.0535(12) Uani 1 1 d . . . H20A H 0.5434 1.1963 0.7890 0.080 Uiso 1 1 d R . . H20B H 0.4451 1.1567 0.8258 0.080 Uiso 1 1 d R . . H20C H 0.5613 1.2020 0.8486 0.080 Uiso 1 1 d R . . C21 C 0.3160(4) 1.2571(2) 0.77865(13) 0.0493(11) Uani 1 1 d . . . H21A H 0.3616 1.2570 0.7465 0.074 Uiso 1 1 d R . . H21B H 0.2565 1.2973 0.7797 0.074 Uiso 1 1 d R . . H21C H 0.2678 1.2127 0.7823 0.074 Uiso 1 1 d R . . C22 C 0.4994(4) 1.32853(18) 0.81156(13) 0.0348(8) Uani 1 1 d . . . H22A H 0.5568 1.3366 0.8402 0.052 Uiso 1 1 d R . . H22B H 0.4451 1.3704 0.8065 0.052 Uiso 1 1 d R . . H22C H 0.5507 1.3200 0.7813 0.052 Uiso 1 1 d R . . C23 C 0.1388(4) 1.43048(15) 0.92090(12) 0.0329(7) Uani 1 1 d . . . H23A H 0.1573 1.4572 0.8902 0.049 Uiso 1 1 d R . . H23B H 0.1691 1.4573 0.9501 0.049 Uiso 1 1 d R . . H23C H 0.0459 1.4229 0.9237 0.049 Uiso 1 1 d R . . C24 C 0.1253(3) 1.33308(15) 1.00574(11) 0.0236(7) Uani 1 1 d . . . H24A H 0.1141 1.2912 1.0271 0.035 Uiso 1 1 d R . . H24B H 0.0409 1.3513 0.9958 0.035 Uiso 1 1 d R . . H24C H 0.1720 1.3698 1.0244 0.035 Uiso 1 1 d R . . C25 C 0.0687(3) 1.02447(14) 1.02493(11) 0.0222(7) Uani 1 1 d . . . C26 C -0.0573(3) 1.04903(16) 1.00122(13) 0.0283(7) Uani 1 1 d . . . H26A H -0.0409 1.0661 0.9671 0.042 Uiso 1 1 d R . . H26B H -0.0942 1.0874 1.0214 0.042 Uiso 1 1 d R . . H26C H -0.1177 1.0092 1.0000 0.042 Uiso 1 1 d R . . C27 C 0.0344(3) 0.99192(17) 1.07622(12) 0.0313(7) Uani 1 1 d . . . H27A H -0.0005 1.0289 1.0982 0.047 Uiso 1 1 d R . . H27B H 0.1117 0.9717 1.0915 0.047 Uiso 1 1 d R . . H27C H -0.0300 0.9545 1.0716 0.047 Uiso 1 1 d R . . C28 C 0.1280(3) 0.96535(14) 0.99302(12) 0.0255(7) Uani 1 1 d . . . H28A H 0.0685 0.9251 0.9915 0.038 Uiso 1 1 d R . . H28B H 0.2092 0.9500 1.0081 0.038 Uiso 1 1 d R . . H28C H 0.1440 0.9831 0.9590 0.038 Uiso 1 1 d R . . C29 C 0.3509(4) 1.1792(2) 1.13486(12) 0.0436(9) Uani 1 1 d . . . H29A H 0.4447 1.1811 1.1318 0.065 Uiso 1 1 d R . . H29B H 0.3269 1.1413 1.1583 0.065 Uiso 1 1 d R . . H29C H 0.3191 1.2247 1.1475 0.065 Uiso 1 1 d R . . C30 C 0.3941(3) 1.27661(16) 1.05256(11) 0.0236(7) Uani 1 1 d . . . H30A H 0.3477 1.3101 1.0740 0.035 Uiso 1 1 d R . . H30B H 0.4122 1.2989 1.0201 0.035 Uiso 1 1 d R . . H30C H 0.4751 1.2633 1.0687 0.035 Uiso 1 1 d R . . C31 C 0.6324(3) 0.85145(14) 0.86131(10) 0.0171(6) Uani 1 1 d . . . C32 C 0.7355(3) 0.89654(15) 0.87278(11) 0.0201(6) Uani 1 1 d . . . C33 C 0.8114(3) 0.87424(16) 0.91265(12) 0.0249(7) Uani 1 1 d . . . H33 H 0.8819 0.9033 0.9222 0.030 Uiso 1 1 d R . . C34 C 0.7907(3) 0.81216(16) 0.93935(12) 0.0241(7) Uani 1 1 d . . . C35 C 0.6958(3) 0.76495(15) 0.92291(11) 0.0203(6) Uani 1 1 d . . . C36 C 0.6179(2) 0.78401(13) 0.88218(10) 0.0153(6) Uani 1 1 d . . . C37 C 0.5251(3) 0.73358(14) 0.85910(11) 0.0158(6) Uani 1 1 d . . . C38 C 0.3949(3) 0.74942(14) 0.85799(11) 0.0177(6) Uani 1 1 d . . . C39 C 0.3012(3) 0.70373(15) 0.84030(12) 0.0216(6) Uani 1 1 d . . . C40 C 0.3488(3) 0.64104(14) 0.81938(11) 0.0234(6) Uani 1 1 d . . . H40 H 0.2886 0.6080 0.8063 0.028 Uiso 1 1 d R . . C41 C 0.4779(3) 0.62402(14) 0.81640(11) 0.0205(6) Uani 1 1 d . . . C42 C 0.5686(3) 0.67020(15) 0.83729(11) 0.0177(6) Uani 1 1 d . . . C43 C 0.7669(3) 0.96354(15) 0.84207(12) 0.0232(7) Uani 1 1 d . . . C44 C 0.7743(4) 0.94486(18) 0.78603(12) 0.0330(8) Uani 1 1 d . . . H44A H 0.6898 0.9289 0.7744 0.049 Uiso 1 1 d R . . H44B H 0.8373 0.9069 0.7810 0.049 Uiso 1 1 d R . . H44C H 0.8005 0.9869 0.7669 0.049 Uiso 1 1 d R . . C45 C 0.6688(3) 1.02205(16) 0.85028(15) 0.0419(9) Uani 1 1 d . . . H45A H 0.6691 1.0362 0.8857 0.063 Uiso 1 1 d R . . H45B H 0.5832 1.0047 0.8411 0.063 Uiso 1 1 d R . . H45C H 0.6907 1.0630 0.8293 0.063 Uiso 1 1 d R . . C46 C 0.8993(3) 0.9925(2) 0.85688(13) 0.0371(8) Uani 1 1 d . . . H46A H 0.9224 1.0319 0.8346 0.056 Uiso 1 1 d R . . H46B H 0.9636 0.9548 0.8538 0.056 Uiso 1 1 d R . . H46C H 0.8966 1.0094 0.8917 0.056 Uiso 1 1 d R . . C47 C 0.8722(4) 0.79480(18) 0.98441(13) 0.0381(9) Uani 1 1 d . . . H47A H 0.9374 0.8317 0.9889 0.057 Uiso 1 1 d R . . H47B H 0.9145 0.7489 0.9792 0.057 Uiso 1 1 d R . . H47C H 0.8178 0.7924 1.0144 0.057 Uiso 1 1 d R . . C48 C 0.6793(3) 0.69550(16) 0.94996(11) 0.0238(7) Uani 1 1 d . . . H48A H 0.6023 0.6714 0.9375 0.036 Uiso 1 1 d R . . H48B H 0.6703 0.7044 0.9860 0.036 Uiso 1 1 d R . . H48C H 0.7547 0.6655 0.9440 0.036 Uiso 1 1 d R . . C49 C 0.1549(3) 0.71504(16) 0.84216(14) 0.0320(8) Uani 1 1 d D . . C50 C 0.1121(5) 0.7674(5) 0.8791(3) 0.207(6) Uani 1 1 d D . . H50A H 0.0206 0.7773 0.8741 0.311 Uiso 1 1 d R . . H50B H 0.1615 0.8113 0.8747 0.311 Uiso 1 1 d R . . H50C H 0.1256 0.7490 0.9131 0.311 Uiso 1 1 d R . . C51 C 0.1124(5) 0.7405(5) 0.7904(3) 0.165(4) Uani 1 1 d D . . H51A H 0.1559 0.7125 0.7645 0.247 Uiso 1 1 d R . . H51B H 0.1348 0.7907 0.7863 0.247 Uiso 1 1 d R . . H51C H 0.0192 0.7347 0.7871 0.247 Uiso 1 1 d R . . C52 C 0.0862(4) 0.6478(2) 0.8497(3) 0.127(3) Uani 1 1 d D . . H52A H 0.0980 0.6317 0.8844 0.191 Uiso 1 1 d R . . H52B H 0.1205 0.6120 0.8266 0.191 Uiso 1 1 d R . . H52C H -0.0055 0.6547 0.8430 0.191 Uiso 1 1 d R . . C53 C 0.5198(3) 0.55698(16) 0.79045(12) 0.0283(7) Uani 1 1 d . . . H53A H 0.4440 0.5292 0.7810 0.042 Uiso 1 1 d R . . H53B H 0.5739 0.5291 0.8132 0.042 Uiso 1 1 d R . . H53C H 0.5688 0.5690 0.7602 0.042 Uiso 1 1 d R . . C54 C 0.7094(3) 0.65350(16) 0.83359(12) 0.0214(7) Uani 1 1 d . . . H54A H 0.7310 0.6156 0.8573 0.032 Uiso 1 1 d R . . H54B H 0.7595 0.6960 0.8417 0.032 Uiso 1 1 d R . . H54C H 0.7295 0.6381 0.7993 0.032 Uiso 1 1 d R . . C55 C 0.4475(3) 1.00629(16) 0.96625(11) 0.0220(6) Uani 1 1 d D . . H55A H 0.379(2) 1.0226(16) 0.9878(9) 0.031(9) Uiso 1 1 d D . . H55B H 0.510(3) 1.0403(15) 0.9570(11) 0.036(10) Uiso 1 1 d D . . C56 C 0.4618(3) 0.93686(17) 0.95476(12) 0.0239(7) Uani 1 1 d D . . H56A H 0.400(3) 0.9034(17) 0.9666(14) 0.055(12) Uiso 1 1 d D . . H56B H 0.542(2) 0.9237(17) 0.9415(11) 0.028(9) Uiso 1 1 d D . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Rh1 0.01519(9) 0.01094(8) 0.01571(10) -0.00347(8) -0.00058(9) 0.00022(8) P1 0.0178(3) 0.0116(3) 0.0136(4) -0.0007(3) 0.0012(3) 0.0000(3) P2 0.0143(4) 0.0140(3) 0.0235(4) -0.0064(3) 0.0003(3) -0.0001(3) O1 0.0243(11) 0.0164(9) 0.0158(10) -0.0017(8) -0.0009(8) 0.0010(8) O2 0.0181(10) 0.0097(8) 0.0171(9) -0.0022(7) 0.0026(8) -0.0008(8) O3 0.0187(10) 0.0127(8) 0.0159(9) -0.0020(7) 0.0027(9) 0.0001(8) O4 0.0234(12) 0.0218(10) 0.0266(11) -0.0139(9) -0.0069(9) 0.0043(8) O5 0.0174(11) 0.0129(9) 0.0243(11) -0.0047(8) 0.0029(9) -0.0013(8) O6 0.0170(10) 0.0135(9) 0.0346(12) -0.0090(8) 0.0062(10) 0.0009(8) C1 0.0125(12) 0.0209(15) 0.0134(13) -0.0024(11) 0.0003(10) -0.0027(11) C2 0.0178(14) 0.0165(13) 0.0173(14) -0.0003(11) 0.0024(11) -0.0051(11) C3 0.0215(17) 0.0240(15) 0.0237(16) 0.0062(13) -0.0007(13) -0.0033(12) C4 0.0208(16) 0.0376(17) 0.0165(14) -0.0011(14) -0.0032(11) -0.0064(14) C5 0.0233(17) 0.0314(17) 0.0200(16) -0.0119(13) -0.0029(13) -0.0039(13) C6 0.0170(15) 0.0204(15) 0.0227(16) -0.0040(12) 0.0001(13) -0.0002(12) C7 0.0191(16) 0.0108(12) 0.0187(14) -0.0020(10) -0.0054(11) -0.0032(10) C8 0.0327(18) 0.0141(13) 0.0175(14) 0.0014(11) 0.0010(14) -0.0044(13) C9 0.043(2) 0.0136(13) 0.0181(16) 0.0064(11) -0.0053(14) 0.0002(13) C10 0.0319(18) 0.0147(14) 0.0222(16) -0.0009(12) -0.0068(14) 0.0054(12) C11 0.0218(15) 0.0129(13) 0.0216(15) -0.0025(11) -0.0039(12) 0.0000(11) C12 0.0189(14) 0.0124(12) 0.0143(14) 0.0005(11) -0.0012(11) -0.0020(11) C13 0.0166(14) 0.0150(12) 0.0145(14) 0.0014(11) 0.0043(12) 0.0019(11) C14 0.0174(14) 0.0154(13) 0.0125(14) -0.0010(11) 0.0018(11) 0.0033(11) C15 0.0215(16) 0.0146(12) 0.0211(14) 0.0015(11) 0.0075(13) 0.0007(12) C16 0.0372(19) 0.0258(16) 0.0194(16) 0.0070(13) 0.0045(14) -0.0044(14) C17 0.0320(18) 0.0301(17) 0.0156(15) 0.0032(13) 0.0000(14) -0.0020(14) C18 0.0222(16) 0.0215(14) 0.0161(15) 0.0008(12) 0.0029(12) 0.0015(11) C19 0.054(2) 0.0240(16) 0.0185(16) -0.0017(14) 0.0131(16) -0.0130(15) C20 0.075(3) 0.040(2) 0.046(2) 0.0083(19) 0.043(2) 0.011(2) C21 0.072(3) 0.052(2) 0.0232(19) -0.0051(17) 0.0070(19) -0.023(2) C22 0.044(2) 0.0323(18) 0.0282(19) 0.0008(15) 0.0095(17) -0.0117(16) C23 0.046(2) 0.0185(14) 0.0338(18) 0.0016(13) -0.0029(18) 0.0070(16) C24 0.0267(18) 0.0190(13) 0.0250(15) -0.0052(12) 0.0009(13) 0.0042(12) C25 0.0288(16) 0.0135(15) 0.0243(16) 0.0025(12) 0.0081(13) -0.0016(12) C26 0.0258(17) 0.0224(16) 0.0367(19) 0.0036(14) 0.0062(15) -0.0024(13) C27 0.0417(19) 0.0212(15) 0.0310(17) 0.0078(14) 0.0132(14) -0.0067(14) C28 0.0298(18) 0.0121(12) 0.0347(17) 0.0038(12) 0.0073(15) -0.0026(12) C29 0.059(2) 0.050(2) 0.0210(17) 0.0145(15) -0.011(2) -0.020(2) C30 0.0285(17) 0.0244(15) 0.0180(15) -0.0016(12) 0.0012(13) -0.0019(12) C31 0.0122(14) 0.0192(12) 0.0199(14) -0.0078(11) 0.0031(12) -0.0010(12) C32 0.0170(14) 0.0174(13) 0.0257(15) -0.0041(12) 0.0041(12) -0.0044(11) C33 0.0162(15) 0.0277(16) 0.0308(17) -0.0033(13) 0.0011(13) -0.0090(12) C34 0.0198(16) 0.0265(16) 0.0259(16) 0.0001(13) -0.0010(13) -0.0055(13) C35 0.0139(14) 0.0228(14) 0.0242(16) -0.0028(12) 0.0047(12) -0.0027(11) C36 0.0092(13) 0.0138(12) 0.0231(16) -0.0026(11) 0.0055(11) -0.0013(9) C37 0.0155(14) 0.0141(13) 0.0179(15) -0.0010(11) 0.0034(12) 0.0001(11) C38 0.0171(14) 0.0128(12) 0.0232(16) -0.0041(12) 0.0032(12) 0.0015(10) C39 0.0183(15) 0.0216(14) 0.0248(16) -0.0032(13) -0.0003(13) -0.0032(12) C40 0.0240(15) 0.0180(13) 0.0282(16) -0.0069(12) -0.0061(15) -0.0053(13) C41 0.0275(17) 0.0143(13) 0.0195(16) -0.0012(12) 0.0021(13) -0.0009(12) C42 0.0177(15) 0.0189(14) 0.0163(15) -0.0010(12) 0.0034(12) 0.0003(12) C43 0.0212(15) 0.0192(13) 0.0293(17) -0.0017(13) 0.0056(14) -0.0075(12) C44 0.037(2) 0.0318(18) 0.0299(19) 0.0049(15) 0.0043(16) -0.0089(15) C45 0.036(2) 0.0200(16) 0.069(3) 0.0043(16) 0.0180(19) -0.0073(15) C46 0.0331(18) 0.0405(19) 0.0377(19) 0.0069(17) -0.0003(15) -0.0229(16) C47 0.031(2) 0.0413(19) 0.042(2) 0.0093(16) -0.0151(17) -0.0177(16) C48 0.0212(17) 0.0261(15) 0.0242(16) -0.0012(13) -0.0024(13) -0.0043(12) C49 0.0147(15) 0.0232(15) 0.058(2) -0.0102(15) -0.0047(17) -0.0036(14) C50 0.017(2) 0.330(12) 0.275(11) -0.251(10) 0.043(4) -0.044(4) C51 0.029(3) 0.265(10) 0.200(9) 0.146(8) -0.034(4) 0.004(4) C52 0.017(2) 0.040(3) 0.325(10) 0.030(4) 0.025(4) -0.0082(19) C53 0.0371(19) 0.0200(15) 0.0278(18) -0.0100(13) 0.0012(15) 0.0045(14) C54 0.0203(16) 0.0220(15) 0.0217(16) -0.0034(12) 0.0051(13) 0.0061(12) C55 0.0239(15) 0.0218(15) 0.0201(15) -0.0014(13) -0.0002(12) 0.0000(13) C56 0.0239(18) 0.0271(16) 0.0206(17) -0.0041(13) -0.0029(14) 0.0049(14) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Rh1 C1 2.019(3) . ? Rh1 P2 2.2096(7) . ? Rh1 P1 2.2237(7) . ? Rh1 C55 2.228(3) . ? Rh1 C56 2.230(3) . ? P1 O2 1.6030(19) . ? P1 O1 1.614(2) . ? P1 O3 1.614(2) . ? P2 O6 1.594(2) . ? P2 O4 1.613(2) . ? P2 O5 1.622(2) . ? O1 C2 1.397(3) . ? O2 C7 1.414(3) . ? O3 C14 1.410(3) . ? O4 C6 1.403(3) . ? O5 C31 1.401(3) . ? O6 C38 1.414(3) . ? C1 C2 1.380(4) . ? C1 C6 1.393(4) . ? C2 C3 1.386(4) . ? C3 C4 1.391(4) . ? C3 H3 0.9500 . ? C4 C5 1.372(4) . ? C4 H4 0.9500 . ? C5 C6 1.378(4) . ? C5 H5 0.9500 . ? C7 C8 1.385(4) . ? C7 C12 1.394(4) . ? C8 C9 1.409(4) . ? C8 C19 1.532(4) . ? C9 C10 1.376(4) . ? C9 H9 0.9500 . ? C10 C11 1.398(4) . ? C10 C23 1.509(4) . ? C11 C12 1.399(4) . ? C11 C24 1.502(4) . ? C12 C13 1.494(4) . ? C13 C14 1.388(4) . ? C13 C18 1.401(4) . ? C14 C15 1.392(4) . ? C15 C16 1.392(4) . ? C15 C25 1.534(4) . ? C16 C17 1.384(5) . ? C16 H16 0.9500 . ? C17 C18 1.391(4) . ? C17 C29 1.508(4) . ? C18 C30 1.503(4) . ? C19 C20 1.503(5) . ? C19 C22 1.533(4) . ? C19 C21 1.547(5) . ? C20 H20A 0.9800 . ? C20 H20B 0.9800 . ? C20 H20C 0.9800 . ? C21 H21A 0.9800 . ? C21 H21B 0.9800 . ? C21 H21C 0.9800 . ? C22 H22A 0.9800 . ? C22 H22B 0.9800 . ? C22 H22C 0.9800 . ? C23 H23A 0.9800 . ? C23 H23B 0.9800 . ? C23 H23C 0.9800 . ? C24 H24A 0.9800 . ? C24 H24B 0.9800 . ? C24 H24C 0.9800 . ? C25 C26 1.527(4) . ? C25 C28 1.531(4) . ? C25 C27 1.540(4) . ? C26 H26A 0.9800 . ? C26 H26B 0.9800 . ? C26 H26C 0.9800 . ? C27 H27A 0.9800 . ? C27 H27B 0.9800 . ? C27 H27C 0.9800 . ? C28 H28A 0.9800 . ? C28 H28B 0.9800 . ? C28 H28C 0.9800 . ? C29 H29A 0.9800 . ? C29 H29B 0.9800 . ? C29 H29C 0.9800 . ? C30 H30A 0.9800 . ? C30 H30B 0.9800 . ? C30 H30C 0.9800 . ? C31 C36 1.396(4) . ? C31 C32 1.403(4) . ? C32 C33 1.389(4) . ? C32 C43 1.540(4) . ? C33 C34 1.386(4) . ? C33 H33 0.9500 . ? C34 C35 1.400(4) . ? C34 C47 1.506(4) . ? C35 C36 1.402(4) . ? C35 C48 1.505(4) . ? C36 C37 1.488(4) . ? C37 C38 1.387(4) . ? C37 C42 1.404(4) . ? C38 C39 1.384(4) . ? C39 C40 1.398(4) . ? C39 C49 1.539(4) . ? C40 C41 1.383(4) . ? C40 H40 0.9500 . ? C41 C42 1.400(4) . ? C41 C53 1.505(4) . ? C42 C54 1.502(4) . ? C43 C45 1.519(4) . ? C43 C46 1.534(4) . ? C43 C44 1.536(5) . ? C44 H44A 0.9800 . ? C44 H44B 0.9800 . ? C44 H44C 0.9800 . ? C45 H45A 0.9800 . ? C45 H45B 0.9800 . ? C45 H45C 0.9800 . ? C46 H46A 0.9800 . ? C46 H46B 0.9800 . ? C46 H46C 0.9800 . ? C47 H47A 0.9800 . ? C47 H47B 0.9800 . ? C47 H47C 0.9800 . ? C48 H48A 0.9800 . ? C48 H48B 0.9800 . ? C48 H48C 0.9800 . ? C49 C50 1.464(6) . ? C49 C52 1.470(5) . ? C49 C51 1.525(7) . ? C50 H50A 0.9800 . ? C50 H50B 0.9800 . ? C50 H50C 0.9800 . ? C51 H51A 0.9800 . ? C51 H51B 0.9800 . ? C51 H51C 0.9800 . ? C52 H52A 0.9800 . ? C52 H52B 0.9800 . ? C52 H52C 0.9800 . ? C53 H53A 0.9800 . ? C53 H53B 0.9800 . ? C53 H53C 0.9800 . ? C54 H54A 0.9800 . ? C54 H54B 0.9800 . ? C54 H54C 0.9800 . ? C55 C56 1.353(4) . ? C55 H55A 0.966(18) . ? C55 H55B 0.942(18) . ? C56 H56A 0.957(19) . ? C56 H56B 0.939(18) . ? 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 77.86(8) . . ? C1 Rh1 P1 77.57(8) . . ? P2 Rh1 P1 155.37(3) . . ? C1 Rh1 C55 163.13(11) . . ? P2 Rh1 C55 118.68(8) . . ? P1 Rh1 C55 85.76(8) . . ? C1 Rh1 C56 161.50(11) . . ? P2 Rh1 C56 84.39(8) . . ? P1 Rh1 C56 120.24(8) . . ? C55 Rh1 C56 35.32(11) . . ? O2 P1 O1 104.53(10) . . ? O2 P1 O3 103.44(10) . . ? O1 P1 O3 95.29(10) . . ? O2 P1 Rh1 116.10(8) . . ? O1 P1 Rh1 109.60(7) . . ? O3 P1 Rh1 124.49(7) . . ? O6 P2 O4 104.45(11) . . ? O6 P2 O5 103.38(11) . . ? O4 P2 O5 95.60(11) . . ? O6 P2 Rh1 117.07(8) . . ? O4 P2 Rh1 110.11(8) . . ? O5 P2 Rh1 122.90(7) . . ? C2 O1 P1 112.41(17) . . ? C7 O2 P1 119.31(17) . . ? C14 O3 P1 118.37(18) . . ? C6 O4 P2 112.21(17) . . ? C31 O5 P2 115.33(17) . . ? C38 O6 P2 122.50(18) . . ? C2 C1 C6 114.5(2) . . ? C2 C1 Rh1 122.9(2) . . ? C6 C1 Rh1 122.5(2) . . ? C1 C2 C3 124.5(3) . . ? C1 C2 O1 117.5(2) . . ? C3 C2 O1 118.0(3) . . ? C2 C3 C4 117.5(3) . . ? C2 C3 H3 121.3 . . ? C4 C3 H3 121.3 . . ? C5 C4 C3 121.0(3) . . ? C5 C4 H4 119.5 . . ? C3 C4 H4 119.5 . . ? C4 C5 C6 118.5(3) . . ? C4 C5 H5 120.7 . . ? C6 C5 H5 120.8 . . ? C5 C6 C1 124.0(3) . . ? C5 C6 O4 118.8(3) . . ? C1 C6 O4 117.2(3) . . ? C8 C7 C12 124.1(2) . . ? C8 C7 O2 120.7(2) . . ? C12 C7 O2 115.2(2) . . ? C7 C8 C9 113.9(3) . . ? C7 C8 C19 128.2(3) . . ? C9 C8 C19 117.9(3) . . ? C10 C9 C8 124.2(3) . . ? C10 C9 H9 117.9 . . ? C8 C9 H9 117.9 . . ? C9 C10 C11 119.7(3) . . ? C9 C10 C23 119.8(3) . . ? C11 C10 C23 120.5(3) . . ? C10 C11 C12 118.2(3) . . ? C10 C11 C24 120.0(3) . . ? C12 C11 C24 121.8(3) . . ? C7 C12 C11 119.5(2) . . ? C7 C12 C13 119.9(2) . . ? C11 C12 C13 120.6(2) . . ? C14 C13 C18 119.3(3) . . ? C14 C13 C12 119.2(2) . . ? C18 C13 C12 121.4(2) . . ? C13 C14 C15 123.4(3) . . ? C13 C14 O3 116.3(2) . . ? C15 C14 O3 120.2(2) . . ? C14 C15 C16 114.4(3) . . ? C14 C15 C25 123.0(3) . . ? C16 C15 C25 122.6(2) . . ? C17 C16 C15 123.9(3) . . ? C17 C16 H16 118.1 . . ? C15 C16 H16 118.1 . . ? C16 C17 C18 119.7(3) . . ? C16 C17 C29 120.4(3) . . ? C18 C17 C29 119.9(3) . . ? C17 C18 C13 118.3(3) . . ? C17 C18 C30 120.1(3) . . ? C13 C18 C30 121.7(3) . . ? C20 C19 C8 115.3(3) . . ? C20 C19 C22 107.9(3) . . ? C8 C19 C22 109.1(3) . . ? C20 C19 C21 108.0(3) . . ? C8 C19 C21 108.2(3) . . ? C22 C19 C21 108.3(3) . . ? C19 C20 H20A 109.4 . . ? C19 C20 H20B 109.4 . . ? H20A C20 H20B 109.5 . . ? C19 C20 H20C 109.6 . . ? H20A C20 H20C 109.5 . . ? H20B C20 H20C 109.5 . . ? C19 C21 H21A 109.4 . . ? C19 C21 H21B 109.4 . . ? H21A C21 H21B 109.5 . . ? C19 C21 H21C 109.6 . . ? H21A C21 H21C 109.5 . . ? H21B C21 H21C 109.5 . . ? C19 C22 H22A 109.6 . . ? C19 C22 H22B 109.3 . . ? H22A C22 H22B 109.5 . . ? C19 C22 H22C 109.5 . . ? H22A C22 H22C 109.5 . . ? H22B C22 H22C 109.5 . . ? C10 C23 H23A 109.5 . . ? C10 C23 H23B 109.5 . . ? H23A C23 H23B 109.5 . . ? C10 C23 H23C 109.5 . . ? H23A C23 H23C 109.5 . . ? H23B C23 H23C 109.5 . . ? C11 C24 H24A 109.5 . . ? C11 C24 H24B 109.4 . . ? H24A C24 H24B 109.5 . . ? C11 C24 H24C 109.5 . . ? H24A C24 H24C 109.5 . . ? H24B C24 H24C 109.5 . . ? C26 C25 C28 109.7(3) . . ? C26 C25 C15 110.4(2) . . ? C28 C25 C15 111.5(2) . . ? C26 C25 C27 106.8(3) . . ? C28 C25 C27 107.2(2) . . ? C15 C25 C27 111.2(2) . . ? C25 C26 H26A 109.5 . . ? C25 C26 H26B 109.5 . . ? H26A C26 H26B 109.5 . . ? C25 C26 H26C 109.4 . . ? H26A C26 H26C 109.5 . . ? H26B C26 H26C 109.5 . . ? C25 C27 H27A 109.4 . . ? C25 C27 H27B 109.5 . . ? H27A C27 H27B 109.5 . . ? C25 C27 H27C 109.5 . . ? H27A C27 H27C 109.5 . . ? H27B C27 H27C 109.5 . . ? C25 C28 H28A 109.4 . . ? C25 C28 H28B 109.5 . . ? H28A C28 H28B 109.5 . . ? C25 C28 H28C 109.5 . . ? H28A C28 H28C 109.5 . . ? H28B C28 H28C 109.5 . . ? C17 C29 H29A 109.4 . . ? C17 C29 H29B 109.5 . . ? H29A C29 H29B 109.5 . . ? C17 C29 H29C 109.5 . . ? H29A C29 H29C 109.5 . . ? H29B C29 H29C 109.5 . . ? C18 C30 H30A 109.5 . . ? C18 C30 H30B 109.4 . . ? H30A C30 H30B 109.5 . . ? C18 C30 H30C 109.5 . . ? H30A C30 H30C 109.5 . . ? H30B C30 H30C 109.5 . . ? C36 C31 O5 116.1(2) . . ? C36 C31 C32 123.3(3) . . ? O5 C31 C32 120.6(2) . . ? C33 C32 C31 114.7(3) . . ? C33 C32 C43 122.2(3) . . ? C31 C32 C43 123.0(3) . . ? C34 C33 C32 124.0(3) . . ? C34 C33 H33 118.0 . . ? C32 C33 H33 118.0 . . ? C33 C34 C35 119.1(3) . . ? C33 C34 C47 120.3(3) . . ? C35 C34 C47 120.6(3) . . ? C34 C35 C36 119.2(3) . . ? C34 C35 C48 118.9(3) . . ? C36 C35 C48 121.9(3) . . ? C31 C36 C35 118.6(2) . . ? C31 C36 C37 119.2(2) . . ? C35 C36 C37 122.1(2) . . ? C38 C37 C42 119.3(3) . . ? C38 C37 C36 120.3(2) . . ? C42 C37 C36 120.4(2) . . ? C39 C38 C37 124.1(3) . . ? C39 C38 O6 120.0(2) . . ? C37 C38 O6 115.8(2) . . ? C38 C39 C40 114.4(3) . . ? C38 C39 C49 126.9(3) . . ? C40 C39 C49 118.7(3) . . ? C41 C40 C39 124.3(3) . . ? C41 C40 H40 117.9 . . ? C39 C40 H40 117.8 . . ? C40 C41 C42 119.2(3) . . ? C40 C41 C53 120.2(3) . . ? C42 C41 C53 120.6(3) . . ? C41 C42 C37 118.5(3) . . ? C41 C42 C54 120.1(3) . . ? C37 C42 C54 121.3(3) . . ? C45 C43 C46 108.0(3) . . ? C45 C43 C44 109.9(3) . . ? C46 C43 C44 106.7(3) . . ? C45 C43 C32 112.1(3) . . ? C46 C43 C32 110.3(3) . . ? C44 C43 C32 109.8(3) . . ? C43 C44 H44A 109.5 . . ? C43 C44 H44B 109.5 . . ? H44A C44 H44B 109.5 . . ? C43 C44 H44C 109.5 . . ? H44A C44 H44C 109.5 . . ? H44B C44 H44C 109.5 . . ? C43 C45 H45A 109.5 . . ? C43 C45 H45B 109.5 . . ? H45A C45 H45B 109.5 . . ? C43 C45 H45C 109.5 . . ? H45A C45 H45C 109.5 . . ? H45B C45 H45C 109.5 . . ? C43 C46 H46A 109.5 . . ? C43 C46 H46B 109.5 . . ? H46A C46 H46B 109.5 . . ? C43 C46 H46C 109.4 . . ? H46A C46 H46C 109.5 . . ? H46B C46 H46C 109.5 . . ? C34 C47 H47A 109.5 . . ? C34 C47 H47B 109.4 . . ? H47A C47 H47B 109.5 . . ? C34 C47 H47C 109.5 . . ? H47A C47 H47C 109.5 . . ? H47B C47 H47C 109.5 . . ? C35 C48 H48A 109.6 . . ? C35 C48 H48B 109.4 . . ? H48A C48 H48B 109.5 . . ? C35 C48 H48C 109.5 . . ? H48A C48 H48C 109.5 . . ? H48B C48 H48C 109.5 . . ? C50 C49 C52 110.1(5) . . ? C50 C49 C51 107.9(6) . . ? C52 C49 C51 104.7(5) . . ? C50 C49 C39 114.6(3) . . ? C52 C49 C39 111.5(3) . . ? C51 C49 C39 107.5(3) . . ? C49 C50 H50A 109.4 . . ? C49 C50 H50B 109.3 . . ? H50A C50 H50B 109.5 . . ? C49 C50 H50C 109.8 . . ? H50A C50 H50C 109.5 . . ? H50B C50 H50C 109.5 . . ? C49 C51 H51A 109.4 . . ? C49 C51 H51B 109.6 . . ? H51A C51 H51B 109.5 . . ? C49 C51 H51C 109.4 . . ? H51A C51 H51C 109.5 . . ? H51B C51 H51C 109.5 . . ? C49 C52 H52A 109.5 . . ? C49 C52 H52B 109.4 . . ? H52A C52 H52B 109.5 . . ? C49 C52 H52C 109.5 . . ? H52A C52 H52C 109.5 . . ? H52B C52 H52C 109.5 . . ? C41 C53 H53A 109.4 . . ? C41 C53 H53B 109.5 . . ? H53A C53 H53B 109.5 . . ? C41 C53 H53C 109.5 . . ? H53A C53 H53C 109.5 . . ? H53B C53 H53C 109.5 . . ? C42 C54 H54A 109.6 . . ? C42 C54 H54B 109.5 . . ? H54A C54 H54B 109.5 . . ? C42 C54 H54C 109.4 . . ? H54A C54 H54C 109.5 . . ? H54B C54 H54C 109.5 . . ? C56 C55 Rh1 72.41(18) . . ? C56 C55 H55A 121.6(19) . . ? Rh1 C55 H55A 104.7(17) . . ? C56 C55 H55B 122(2) . . ? Rh1 C55 H55B 99.9(18) . . ? H55A C55 H55B 116(3) . . ? C55 C56 Rh1 72.27(18) . . ? C55 C56 H56A 119(2) . . ? Rh1 C56 H56A 101(2) . . ? C55 C56 H56B 116(2) . . ? Rh1 C56 H56B 106(2) . . ? H56A C56 H56B 123(3) . . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag C1 Rh1 P1 O2 -118.03(11) . . . . ? P2 Rh1 P1 O2 -113.97(10) . . . . ? C55 Rh1 P1 O2 59.33(11) . . . . ? C56 Rh1 P1 O2 67.36(13) . . . . ? C1 Rh1 P1 O1 0.07(11) . . . . ? P2 Rh1 P1 O1 4.13(12) . . . . ? C55 Rh1 P1 O1 177.42(12) . . . . ? C56 Rh1 P1 O1 -174.54(13) . . . . ? C1 Rh1 P1 O3 111.38(12) . . . . ? P2 Rh1 P1 O3 115.43(11) . . . . ? C55 Rh1 P1 O3 -71.27(12) . . . . ? C56 Rh1 P1 O3 -63.24(14) . . . . ? C1 Rh1 P2 O6 -122.19(12) . . . . ? P1 Rh1 P2 O6 -126.24(11) . . . . ? C55 Rh1 P2 O6 61.39(13) . . . . ? C56 Rh1 P2 O6 52.61(13) . . . . ? C1 Rh1 P2 O4 -3.14(12) . . . . ? P1 Rh1 P2 O4 -7.19(12) . . . . ? C55 Rh1 P2 O4 -179.56(12) . . . . ? C56 Rh1 P2 O4 171.66(13) . . . . ? C1 Rh1 P2 O5 108.01(12) . . . . ? P1 Rh1 P2 O5 103.96(11) . . . . ? C55 Rh1 P2 O5 -68.41(13) . . . . ? C56 Rh1 P2 O5 -77.20(13) . . . . ? O2 P1 O1 C2 124.91(18) . . . . ? O3 P1 O1 C2 -129.72(18) . . . . ? Rh1 P1 O1 C2 -0.18(19) . . . . ? O1 P1 O2 C7 54.5(2) . . . . ? O3 P1 O2 C7 -44.7(2) . . . . ? Rh1 P1 O2 C7 175.37(16) . . . . ? O2 P1 O3 C14 -49.91(19) . . . . ? O1 P1 O3 C14 -156.24(18) . . . . ? Rh1 P1 O3 C14 85.58(18) . . . . ? O6 P2 O4 C6 129.25(19) . . . . ? O5 P2 O4 C6 -125.36(19) . . . . ? Rh1 P2 O4 C6 2.8(2) . . . . ? O6 P2 O5 C31 -58.54(19) . . . . ? O4 P2 O5 C31 -164.86(17) . . . . ? Rh1 P2 O5 C31 76.78(18) . . . . ? O4 P2 O6 C38 64.9(2) . . . . ? O5 P2 O6 C38 -34.6(2) . . . . ? Rh1 P2 O6 C38 -173.08(18) . . . . ? P2 Rh1 C1 C2 -178.2(2) . . . . ? P1 Rh1 C1 C2 0.0(2) . . . . ? C55 Rh1 C1 C2 -9.1(5) . . . . ? C56 Rh1 C1 C2 165.2(3) . . . . ? P2 Rh1 C1 C6 3.5(2) . . . . ? P1 Rh1 C1 C6 -178.2(2) . . . . ? C55 Rh1 C1 C6 172.7(3) . . . . ? C56 Rh1 C1 C6 -13.0(5) . . . . ? C6 C1 C2 C3 -0.1(4) . . . . ? Rh1 C1 C2 C3 -178.4(2) . . . . ? C6 C1 C2 O1 178.2(2) . . . . ? Rh1 C1 C2 O1 -0.2(3) . . . . ? P1 O1 C2 C1 0.2(3) . . . . ? P1 O1 C2 C3 178.6(2) . . . . ? C1 C2 C3 C4 1.3(4) . . . . ? O1 C2 C3 C4 -176.9(2) . . . . ? C2 C3 C4 C5 -1.7(4) . . . . ? C3 C4 C5 C6 0.7(4) . . . . ? C4 C5 C6 C1 0.6(5) . . . . ? C4 C5 C6 O4 -179.0(3) . . . . ? C2 C1 C6 C5 -1.0(4) . . . . ? Rh1 C1 C6 C5 177.4(2) . . . . ? C2 C1 C6 O4 178.7(2) . . . . ? Rh1 C1 C6 O4 -2.9(4) . . . . ? P2 O4 C6 C5 179.4(2) . . . . ? P2 O4 C6 C1 -0.2(3) . . . . ? P1 O2 C7 C8 -107.3(3) . . . . ? P1 O2 C7 C12 72.4(3) . . . . ? C12 C7 C8 C9 -6.0(4) . . . . ? O2 C7 C8 C9 173.6(3) . . . . ? C12 C7 C8 C19 174.8(3) . . . . ? O2 C7 C8 C19 -5.5(5) . . . . ? C7 C8 C9 C10 0.5(5) . . . . ? C19 C8 C9 C10 179.8(3) . . . . ? C8 C9 C10 C11 3.6(5) . . . . ? C8 C9 C10 C23 -177.7(3) . . . . ? C9 C10 C11 C12 -2.4(4) . . . . ? C23 C10 C11 C12 178.8(3) . . . . ? C9 C10 C11 C24 178.9(3) . . . . ? C23 C10 C11 C24 0.2(5) . . . . ? C8 C7 C12 C11 7.3(4) . . . . ? O2 C7 C12 C11 -172.4(2) . . . . ? C8 C7 C12 C13 -175.4(3) . . . . ? O2 C7 C12 C13 4.9(4) . . . . ? C10 C11 C12 C7 -2.6(4) . . . . ? C24 C11 C12 C7 175.9(3) . . . . ? C10 C11 C12 C13 -180.0(3) . . . . ? C24 C11 C12 C13 -1.4(4) . . . . ? C7 C12 C13 C14 -63.6(4) . . . . ? C11 C12 C13 C14 113.7(3) . . . . ? C7 C12 C13 C18 119.8(3) . . . . ? C11 C12 C13 C18 -62.9(4) . . . . ? C18 C13 C14 C15 11.5(4) . . . . ? C12 C13 C14 C15 -165.2(3) . . . . ? C18 C13 C14 O3 -171.3(2) . . . . ? C12 C13 C14 O3 12.1(4) . . . . ? P1 O3 C14 C13 69.1(3) . . . . ? P1 O3 C14 C15 -113.5(2) . . . . ? C13 C14 C15 C16 -9.7(4) . . . . ? O3 C14 C15 C16 173.2(3) . . . . ? C13 C14 C15 C25 167.9(3) . . . . ? O3 C14 C15 C25 -9.2(4) . . . . ? C14 C15 C16 C17 1.5(5) . . . . ? C25 C15 C16 C17 -176.2(3) . . . . ? C15 C16 C17 C18 4.8(5) . . . . ? C15 C16 C17 C29 -177.7(3) . . . . ? C16 C17 C18 C13 -3.1(5) . . . . ? C29 C17 C18 C13 179.3(3) . . . . ? C16 C17 C18 C30 177.8(3) . . . . ? C29 C17 C18 C30 0.2(5) . . . . ? C14 C13 C18 C17 -4.6(4) . . . . ? C12 C13 C18 C17 172.0(3) . . . . ? C14 C13 C18 C30 174.5(3) . . . . ? C12 C13 C18 C30 -8.9(4) . . . . ? C7 C8 C19 C20 -11.5(5) . . . . ? C9 C8 C19 C20 169.4(3) . . . . ? C7 C8 C19 C22 -133.0(3) . . . . ? C9 C8 C19 C22 47.9(4) . . . . ? C7 C8 C19 C21 109.5(4) . . . . ? C9 C8 C19 C21 -69.7(4) . . . . ? C14 C15 C25 C26 -53.3(4) . . . . ? C16 C15 C25 C26 124.2(3) . . . . ? C14 C15 C25 C28 68.9(4) . . . . ? C16 C15 C25 C28 -113.6(3) . . . . ? C14 C15 C25 C27 -171.5(3) . . . . ? C16 C15 C25 C27 5.9(4) . . . . ? P2 O5 C31 C36 70.8(3) . . . . ? P2 O5 C31 C32 -109.9(3) . . . . ? C36 C31 C32 C33 -10.1(4) . . . . ? O5 C31 C32 C33 170.8(2) . . . . ? C36 C31 C32 C43 166.9(3) . . . . ? O5 C31 C32 C43 -12.3(4) . . . . ? C31 C32 C33 C34 0.8(4) . . . . ? C43 C32 C33 C34 -176.1(3) . . . . ? C32 C33 C34 C35 6.3(5) . . . . ? C32 C33 C34 C47 -175.6(3) . . . . ? C33 C34 C35 C36 -4.6(4) . . . . ? C47 C34 C35 C36 177.3(3) . . . . ? C33 C34 C35 C48 176.1(3) . . . . ? C47 C34 C35 C48 -2.0(5) . . . . ? O5 C31 C36 C35 -169.0(2) . . . . ? C32 C31 C36 C35 11.8(4) . . . . ? O5 C31 C36 C37 13.9(4) . . . . ? C32 C31 C36 C37 -165.3(3) . . . . ? C34 C35 C36 C31 -3.9(4) . . . . ? C48 C35 C36 C31 175.3(3) . . . . ? C34 C35 C36 C37 173.1(3) . . . . ? C48 C35 C36 C37 -7.7(4) . . . . ? C31 C36 C37 C38 -62.7(4) . . . . ? C35 C36 C37 C38 120.2(3) . . . . ? C31 C36 C37 C42 115.9(3) . . . . ? C35 C36 C37 C42 -61.1(4) . . . . ? C42 C37 C38 C39 5.7(5) . . . . ? C36 C37 C38 C39 -175.6(3) . . . . ? C42 C37 C38 O6 -176.0(2) . . . . ? C36 C37 C38 O6 2.7(4) . . . . ? P2 O6 C38 C39 -113.3(3) . . . . ? P2 O6 C38 C37 68.3(3) . . . . ? C37 C38 C39 C40 -5.0(5) . . . . ? O6 C38 C39 C40 176.8(3) . . . . ? C37 C38 C39 C49 174.3(3) . . . . ? O6 C38 C39 C49 -4.0(5) . . . . ? C38 C39 C40 C41 0.6(5) . . . . ? C49 C39 C40 C41 -178.7(3) . . . . ? C39 C40 C41 C42 2.9(5) . . . . ? C39 C40 C41 C53 -176.5(3) . . . . ? C40 C41 C42 C37 -2.1(4) . . . . ? C53 C41 C42 C37 177.2(3) . . . . ? C40 C41 C42 C54 -178.8(3) . . . . ? C53 C41 C42 C54 0.5(4) . . . . ? C38 C37 C42 C41 -1.9(4) . . . . ? C36 C37 C42 C41 179.5(3) . . . . ? C38 C37 C42 C54 174.7(3) . . . . ? C36 C37 C42 C54 -3.9(4) . . . . ? C33 C32 C43 C45 -111.9(3) . . . . ? C31 C32 C43 C45 71.4(4) . . . . ? C33 C32 C43 C46 8.5(4) . . . . ? C31 C32 C43 C46 -168.2(3) . . . . ? C33 C32 C43 C44 125.7(3) . . . . ? C31 C32 C43 C44 -51.0(4) . . . . ? C38 C39 C49 C50 -19.7(7) . . . . ? C40 C39 C49 C50 159.5(6) . . . . ? C38 C39 C49 C52 -145.6(5) . . . . ? C40 C39 C49 C52 33.6(5) . . . . ? C38 C39 C49 C51 100.2(5) . . . . ? C40 C39 C49 C51 -80.6(5) . . . . ? C1 Rh1 C55 C56 176.9(3) . . . . ? P2 Rh1 C55 C56 -15.2(2) . . . . ? P1 Rh1 C55 C56 167.9(2) . . . . ? C1 Rh1 C56 C55 -177.2(3) . . . . ? P2 Rh1 C56 C55 166.6(2) . . . . ? P1 Rh1 C56 C55 -14.0(2) . . . . ? _diffrn_measured_fraction_theta_max 0.997 _diffrn_reflns_theta_full 27.00 _diffrn_measured_fraction_theta_full 0.997 _refine_diff_density_max 0.884 _refine_diff_density_min -0.718 _refine_diff_density_rms 0.061