data_diRh27 _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common diRh27 _chemical_melting_point ? _chemical_formula_moiety C42H44N2O4Rh _chemical_formula_sum 'C42 H44 N2 O4 Rh' _chemical_formula_weight 743.70 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'C' 'C' 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'N' 'N' 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'O' 'O' 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Rh' 'Rh' -1.1178 0.9187 '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 11.256(5) _cell_length_b 12.538(5) _cell_length_c 15.367(5) _cell_angle_alpha 69.613(5) _cell_angle_beta 84.172(5) _cell_angle_gamma 77.614(5) _cell_volume 1984.7(13) _cell_formula_units_Z 2 _cell_measurement_temperature 150(2) _cell_measurement_reflns_used all _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description block _exptl_crystal_colour orange _exptl_crystal_size_max 0.15 _exptl_crystal_size_mid 0.11 _exptl_crystal_size_min 0.1 _exptl_crystal_density_meas 'not measured' _exptl_crystal_density_diffrn 1.244 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 774 _exptl_absorpt_coefficient_mu 0.471 _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 293(2) _diffrn_radiation_wavelength 0.71069 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'CCD area detector' _diffrn_measurement_method 'phi and omega scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 30833 _diffrn_reflns_av_R_equivalents 0.0711 _diffrn_reflns_av_sigmaI/netI 0.0453 _diffrn_reflns_limit_h_min -11 _diffrn_reflns_limit_h_max 11 _diffrn_reflns_limit_k_min -12 _diffrn_reflns_limit_k_max 12 _diffrn_reflns_limit_l_min -15 _diffrn_reflns_limit_l_max 15 _diffrn_reflns_theta_min 1.41 _diffrn_reflns_theta_max 21.30 _reflns_number_total 4408 _reflns_number_gt 3477 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'BRUKER SMART' _computing_cell_refinement 'BRUKER SMART' _computing_data_reduction 'BRUKER SAINT' _computing_structure_solution 'SIR 97' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics ? _computing_publication_material ? _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^)+(0.1388P)^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 SHELXL _refine_ls_extinction_coef 0.064(5) _refine_ls_extinction_expression 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' _refine_ls_number_reflns 4408 _refine_ls_number_parameters 411 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0943 _refine_ls_R_factor_gt 0.0673 _refine_ls_wR_factor_ref 0.2022 _refine_ls_wR_factor_gt 0.1707 _refine_ls_goodness_of_fit_ref 1.166 _refine_ls_restrained_S_all 1.166 _refine_ls_shift/su_max 0.022 _refine_ls_shift/su_mean 0.002 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 0.55071(5) 0.48902(5) 0.92790(4) 0.0398(4) Uani 1 1 d . . . C9 C 0.6461(6) 0.4695(6) 0.7973(5) 0.0350(17) Uani 1 1 d . . . O5 O 0.5785(5) 0.3153(4) 0.9954(3) 0.0497(14) Uani 1 1 d . . . O1 O 0.7085(4) 0.4969(4) 0.9785(3) 0.0445(13) Uani 1 1 d . . . N2 N 0.6670(6) 0.5546(6) 0.7208(4) 0.0521(18) Uani 1 1 d . . . O4 O 0.3849(4) 0.4833(5) 0.8895(3) 0.0485(13) Uani 1 1 d . . . O8 O 0.5121(5) 0.6646(4) 0.8726(3) 0.0472(13) Uani 1 1 d . . . N1 N 0.6993(5) 0.3704(6) 0.7840(4) 0.0482(17) Uani 1 1 d . . . C24 C 0.6238(7) 0.6778(7) 0.6954(5) 0.047(2) Uani 1 1 d . . . C29 C 0.5140(7) 0.7255(7) 0.6517(5) 0.050(2) Uani 1 1 d . . . C17 C 0.8078(7) 0.2012(7) 0.9030(6) 0.053(2) Uani 1 1 d . . . C12 C 0.7062(7) 0.2528(7) 0.8449(5) 0.047(2) Uani 1 1 d . . . C25 C 0.6990(7) 0.7464(7) 0.7079(5) 0.053(2) Uani 1 1 d . . . C30 C 0.4282(8) 0.6509(9) 0.6436(6) 0.072(3) Uani 1 1 d . . . H16 H 0.4570 0.5713 0.6843 0.086 Uiso 1 1 calc R . . C13 C 0.6202(8) 0.1905(8) 0.8406(5) 0.059(2) Uani 1 1 d . . . C2 C 0.5674(9) 0.1465(7) 1.1240(6) 0.070(3) Uani 1 1 d . . . H18A H 0.6404 0.1220 1.1588 0.106 Uiso 1 1 calc R . . H18B H 0.5773 0.1115 1.0765 0.106 Uiso 1 1 calc R . . H18C H 0.5003 0.1230 1.1649 0.106 Uiso 1 1 calc R . . C11 C 0.7454(9) 0.5144(7) 0.6501(6) 0.074(3) Uani 1 1 d . . . H19A H 0.8243 0.5363 0.6430 0.089 Uiso 1 1 calc R . . H19B H 0.7071 0.5450 0.5903 0.089 Uiso 1 1 calc R . . C26 C 0.6622(8) 0.8651(8) 0.6721(6) 0.063(2) Uani 1 1 d . . . H20 H 0.7103 0.9126 0.6800 0.076 Uiso 1 1 calc R . . C7 C 0.7075(7) 0.5071(6) 1.0566(6) 0.046(2) Uani 1 1 d . . . C21 C 0.5068(8) 0.2466(10) 0.7838(7) 0.083(3) Uani 1 1 d . . . H22 H 0.5054 0.3302 0.7571 0.099 Uiso 1 1 calc R . . C28 C 0.4813(9) 0.8458(9) 0.6167(5) 0.068(3) Uani 1 1 d . . . H23 H 0.4076 0.8797 0.5873 0.081 Uiso 1 1 calc R . . C33 C 0.8148(8) 0.6963(9) 0.7640(6) 0.070(3) Uani 1 1 d . . . H25 H 0.8224 0.6119 0.7898 0.085 Uiso 1 1 calc R . . C27 C 0.5550(10) 0.9149(8) 0.6247(6) 0.072(3) Uani 1 1 d . . . H26 H 0.5334 0.9951 0.5984 0.086 Uiso 1 1 calc R . . C10 C 0.7560(10) 0.3858(8) 0.6910(6) 0.083(3) Uani 1 1 d . . . H28A H 0.7126 0.3572 0.6550 0.099 Uiso 1 1 calc R . . H28B H 0.8404 0.3465 0.6948 0.099 Uiso 1 1 calc R . . C18 C 0.8948(8) 0.2688(8) 0.9154(7) 0.068(3) Uani 1 1 d . . . H29 H 0.8606 0.3515 0.8876 0.082 Uiso 1 1 calc R . . C16 C 0.8222(8) 0.0821(8) 0.9519(6) 0.066(3) Uani 1 1 d . . . H30 H 0.8883 0.0456 0.9902 0.080 Uiso 1 1 calc R . . C8 C 0.8289(7) 0.5127(8) 1.0889(6) 0.065(2) Uani 1 1 d . . . H31A H 0.8147 0.5484 1.1360 0.097 Uiso 1 1 calc R . . H31B H 0.8729 0.5575 1.0372 0.097 Uiso 1 1 calc R . . H31C H 0.8755 0.4356 1.1139 0.097 Uiso 1 1 calc R . . C23 C 0.3917(9) 0.2284(9) 0.8452(7) 0.083(3) Uani 1 1 d . . . H32A H 0.3940 0.1469 0.8755 0.125 Uiso 1 1 calc R . . H32B H 0.3213 0.2618 0.8075 0.125 Uiso 1 1 calc R . . H32C H 0.3877 0.2651 0.8911 0.125 Uiso 1 1 calc R . . C1 C 0.5426(7) 0.2765(7) 1.0797(5) 0.046(2) Uani 1 1 d . . . C32 C 0.2975(9) 0.6925(10) 0.6768(7) 0.087(3) Uani 1 1 d . . . H34A H 0.3013 0.7156 0.7296 0.131 Uiso 1 1 calc R . . H34B H 0.2532 0.6304 0.6938 0.131 Uiso 1 1 calc R . . H34C H 0.2570 0.7571 0.6276 0.131 Uiso 1 1 calc R . . C34 C 0.8099(9) 0.7412(9) 0.8431(6) 0.084(3) Uani 1 1 d . . . H35A H 0.8032 0.8238 0.8193 0.125 Uiso 1 1 calc R . . H35B H 0.8827 0.7062 0.8779 0.125 Uiso 1 1 calc R . . H35C H 0.7405 0.7221 0.8829 0.125 Uiso 1 1 calc R . . C20 C 0.9197(10) 0.2441(9) 1.0165(7) 0.087(3) Uani 1 1 d . . . H36A H 0.8439 0.2487 1.0512 0.131 Uiso 1 1 calc R . . H36B H 0.9627 0.3002 1.0210 0.131 Uiso 1 1 calc R . . H36C H 0.9680 0.1678 1.0414 0.131 Uiso 1 1 calc R . . C14 C 0.6408(10) 0.0711(9) 0.8915(7) 0.077(3) Uani 1 1 d . . . H39 H 0.5849 0.0275 0.8889 0.092 Uiso 1 1 calc R . . C15 C 0.7413(10) 0.0176(8) 0.9448(7) 0.073(3) Uani 1 1 d . . . H40 H 0.7547 -0.0620 0.9760 0.088 Uiso 1 1 calc R . . C260 C 0.9270(9) 0.7233(11) 0.7007(8) 0.104(4) Uani 1 1 d . . . H41A H 0.9342 0.6867 0.6545 0.157 Uiso 1 1 calc R . . H41B H 0.9986 0.6946 0.7372 0.157 Uiso 1 1 calc R . . H41C H 0.9182 0.8057 0.6708 0.157 Uiso 1 1 calc R . . C22 C 0.5046(11) 0.2008(14) 0.7045(8) 0.131(5) Uani 1 1 d . . . H42A H 0.5251 0.1177 0.7272 0.196 Uiso 1 1 calc R . . H42B H 0.5625 0.2309 0.6567 0.196 Uiso 1 1 calc R . . H42C H 0.4246 0.2250 0.6794 0.196 Uiso 1 1 calc R . . C19 C 1.0166(10) 0.2420(11) 0.8655(9) 0.108(4) Uani 1 1 d . . . H44A H 1.0574 0.1644 0.8979 0.162 Uiso 1 1 calc R . . H44B H 1.0665 0.2958 0.8642 0.162 Uiso 1 1 calc R . . H44C H 1.0022 0.2489 0.8030 0.162 Uiso 1 1 calc R . . C31 C 0.4270(11) 0.6493(14) 0.5465(8) 0.134(6) Uani 1 1 d . . . H46A H 0.3817 0.7217 0.5080 0.201 Uiso 1 1 calc R . . H46B H 0.3895 0.5871 0.5471 0.201 Uiso 1 1 calc R . . H46C H 0.5089 0.6381 0.5222 0.201 Uiso 1 1 calc R . . C09 C 0.0662(12) 0.0880(11) 0.5681(9) 0.101(4) Uiso 1 1 d . . . C02 C -0.0127(15) 0.0519(13) 0.7298(11) 0.131(5) Uiso 1 1 d . . . C07 C -0.1528(13) 0.1071(12) 0.6083(10) 0.124(4) Uiso 1 1 d . . . C04 C 0.224(2) 0.056(2) 0.6692(19) 0.103(9) Uiso 0.492(19) 1 d P . . C08 C -0.041(2) 0.110(2) 0.5436(18) 0.108(9) Uiso 0.508(19) 1 d P A 1 C05 C 0.075(3) 0.055(2) 0.666(2) 0.109(9) Uiso 0.508(19) 1 d P A 1 C01 C -0.1311(19) 0.0762(18) 0.6992(15) 0.082(7) Uiso 0.508(19) 1 d P A 1 C03 C 0.138(3) 0.041(2) 0.724(2) 0.232(11) Uiso 1 1 d . A 2 C010 C 0.193(2) 0.089(2) 0.5650(18) 0.108(9) Uiso 0.492(19) 1 d P A 2 C06 C -0.032(3) 0.080(2) 0.6357(19) 0.107(9) Uiso 0.492(19) 1 d P A 2 C012 C 0.0085(10) 0.3903(10) 0.5370(8) 0.085(3) Uiso 1 1 d . . . C013 C -0.0683(14) 0.4181(14) 0.4812(11) 0.130(5) Uiso 1 1 d . . . C014 C -0.1453(15) 0.5442(14) 0.3934(11) 0.141(5) Uiso 1 1 d . . . C011 C 0.0700(19) 0.4492(18) 0.5619(14) 0.179(7) Uiso 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 Rh1 0.0336(5) 0.0457(6) 0.0253(5) -0.0034(3) 0.0064(3) 0.0056(3) C9 0.025(4) 0.036(4) 0.032(4) -0.007(4) 0.007(3) 0.008(3) O5 0.052(3) 0.043(3) 0.036(3) -0.004(3) 0.010(3) 0.006(3) O1 0.031(3) 0.060(3) 0.030(3) -0.009(3) 0.008(2) 0.002(2) N2 0.054(4) 0.047(5) 0.032(4) 0.001(3) 0.018(3) 0.007(3) O4 0.036(3) 0.067(4) 0.032(3) -0.012(3) 0.006(2) -0.001(3) O8 0.051(3) 0.047(3) 0.026(3) -0.003(3) 0.006(2) 0.008(3) N1 0.049(4) 0.046(4) 0.032(4) -0.003(3) 0.018(3) 0.001(3) C24 0.048(5) 0.053(6) 0.022(4) -0.004(4) 0.012(4) 0.005(4) C29 0.051(5) 0.052(6) 0.026(4) 0.003(4) 0.005(4) 0.009(4) C17 0.057(5) 0.040(5) 0.049(5) -0.010(4) 0.011(4) 0.003(4) C12 0.036(5) 0.051(5) 0.038(5) -0.007(4) 0.016(4) 0.005(4) C25 0.052(5) 0.054(6) 0.030(4) 0.002(4) 0.011(4) 0.005(4) C30 0.061(6) 0.086(7) 0.052(6) -0.012(5) -0.008(4) 0.002(5) C13 0.055(6) 0.072(7) 0.038(5) -0.010(5) 0.018(4) -0.012(5) C2 0.094(7) 0.053(6) 0.040(5) -0.003(4) 0.026(5) 0.002(5) C11 0.095(7) 0.057(6) 0.052(6) -0.020(5) 0.042(5) 0.007(5) C26 0.072(6) 0.058(6) 0.043(5) -0.001(5) 0.013(5) -0.012(5) C7 0.041(5) 0.043(5) 0.042(5) -0.002(4) -0.002(4) -0.002(4) C21 0.064(6) 0.107(8) 0.071(7) -0.020(6) 0.009(5) -0.025(6) C28 0.063(6) 0.076(7) 0.030(5) 0.008(5) 0.005(4) 0.014(6) C33 0.060(6) 0.073(6) 0.057(6) 0.005(5) -0.004(5) -0.012(5) C27 0.088(7) 0.049(6) 0.046(6) 0.009(5) 0.014(5) 0.006(6) C10 0.109(8) 0.057(6) 0.045(6) -0.004(5) 0.036(5) 0.022(5) C18 0.055(6) 0.050(6) 0.087(7) -0.015(5) -0.006(5) 0.005(4) C16 0.060(6) 0.054(6) 0.064(6) -0.010(5) 0.010(5) 0.014(5) C8 0.050(5) 0.086(7) 0.052(5) -0.019(5) -0.005(4) -0.005(5) C23 0.066(6) 0.104(8) 0.090(8) -0.047(7) 0.018(5) -0.025(6) C1 0.048(5) 0.047(5) 0.029(5) -0.005(4) 0.015(4) -0.002(4) C32 0.065(6) 0.121(9) 0.062(6) -0.018(6) 0.000(5) -0.009(6) C34 0.081(7) 0.118(9) 0.040(5) -0.001(6) -0.007(5) -0.035(6) C20 0.079(7) 0.087(8) 0.089(8) -0.028(6) -0.026(6) 0.007(6) C14 0.081(8) 0.083(8) 0.069(7) -0.029(6) 0.036(6) -0.030(6) C15 0.082(7) 0.052(6) 0.064(6) -0.008(5) 0.027(6) -0.001(6) C260 0.055(6) 0.141(11) 0.090(8) -0.019(8) 0.018(6) -0.006(6) C22 0.080(8) 0.232(18) 0.077(8) -0.056(10) 0.011(6) -0.020(9) C19 0.083(8) 0.124(10) 0.126(10) -0.047(8) 0.032(7) -0.044(7) C31 0.099(9) 0.246(18) 0.106(10) -0.118(12) 0.031(7) -0.053(10) _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 O5 2.030(5) . ? Rh1 O8 2.030(5) . ? Rh1 O4 2.037(5) . ? Rh1 O1 2.044(5) . ? Rh1 C9 2.243(7) . ? Rh1 Rh1 2.4627(12) 2_667 ? C9 N2 1.325(9) . ? C9 N1 1.334(9) . ? O5 C1 1.272(9) . ? O1 C7 1.249(9) . ? N2 C24 1.439(10) . ? N2 C11 1.486(10) . ? O4 C7 1.274(9) 2_667 ? O8 C1 1.245(9) 2_667 ? N1 C12 1.435(10) . ? N1 C10 1.469(10) . ? C24 C29 1.381(11) . ? C24 C25 1.397(11) . ? C29 C28 1.391(12) . ? C29 C30 1.522(12) . ? C17 C16 1.400(11) . ? C17 C12 1.418(11) . ? C17 C18 1.491(12) . ? C12 C13 1.386(11) . ? C25 C26 1.379(11) . ? C25 C33 1.529(12) . ? C30 C31 1.500(13) . ? C30 C32 1.549(13) . ? C30 H16 0.9800 . ? C13 C14 1.406(13) . ? C13 C21 1.517(12) . ? C2 C1 1.507(11) . ? C2 H18A 0.9600 . ? C2 H18B 0.9600 . ? C2 H18C 0.9600 . ? C11 C10 1.495(12) . ? C11 H19A 0.9700 . ? C11 H19B 0.9700 . ? C26 C27 1.384(12) . ? C26 H20 0.9300 . ? C7 O4 1.274(9) 2_667 ? C7 C8 1.523(11) . ? C21 C22 1.522(15) . ? C21 C23 1.533(13) . ? C21 H22 0.9800 . ? C28 C27 1.363(13) . ? C28 H23 0.9300 . ? C33 C34 1.499(14) . ? C33 C260 1.536(13) . ? C33 H25 0.9800 . ? C27 H26 0.9300 . ? C10 H28A 0.9700 . ? C10 H28B 0.9700 . ? C18 C20 1.518(13) . ? C18 C19 1.533(14) . ? C18 H29 0.9800 . ? C16 C15 1.376(13) . ? C16 H30 0.9300 . ? C8 H31A 0.9600 . ? C8 H31B 0.9600 . ? C8 H31C 0.9600 . ? C23 H32A 0.9600 . ? C23 H32B 0.9600 . ? C23 H32C 0.9600 . ? C1 O8 1.245(9) 2_667 ? C32 H34A 0.9600 . ? C32 H34B 0.9600 . ? C32 H34C 0.9600 . ? C34 H35A 0.9600 . ? C34 H35B 0.9600 . ? C34 H35C 0.9600 . ? C20 H36A 0.9600 . ? C20 H36B 0.9600 . ? C20 H36C 0.9600 . ? C14 C15 1.371(13) . ? C14 H39 0.9300 . ? C15 H40 0.9300 . ? C260 H41A 0.9600 . ? C260 H41B 0.9600 . ? C260 H41C 0.9600 . ? C22 H42A 0.9600 . ? C22 H42B 0.9600 . ? C22 H42C 0.9600 . ? C19 H44A 0.9600 . ? C19 H44B 0.9600 . ? C19 H44C 0.9600 . ? C31 H46A 0.9600 . ? C31 H46B 0.9600 . ? C31 H46C 0.9600 . ? C09 C08 1.25(3) . ? C09 C05 1.42(3) . ? C09 C010 1.42(3) . ? C09 C06 1.43(3) . ? C02 C05 1.32(3) . ? C02 C01 1.39(2) . ? C02 C06 1.39(3) . ? C02 C03 1.67(3) . ? C07 C01 1.35(2) . ? C07 C06 1.40(3) . ? C07 C08 1.52(3) . ? C04 C03 1.22(3) . ? C04 C010 1.57(4) . ? C04 C05 1.68(4) . ? C012 C013 1.191(15) . ? C012 C011 1.28(2) . ? C013 C011 1.56(2) 2_566 ? C013 C014 1.80(2) . ? C014 C011 1.18(2) 2_566 ? C011 C014 1.18(2) 2_566 ? C011 C013 1.56(2) 2_566 ? 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 O5 Rh1 O8 173.83(18) . . ? O5 Rh1 O4 89.6(2) . . ? O8 Rh1 O4 89.5(2) . . ? O5 Rh1 O1 90.2(2) . . ? O8 Rh1 O1 90.1(2) . . ? O4 Rh1 O1 174.17(17) . . ? O5 Rh1 C9 93.1(2) . . ? O8 Rh1 C9 93.0(2) . . ? O4 Rh1 C9 93.8(2) . . ? O1 Rh1 C9 92.0(2) . . ? O5 Rh1 Rh1 87.00(14) . 2_667 ? O8 Rh1 Rh1 86.86(14) . 2_667 ? O4 Rh1 Rh1 87.18(14) . 2_667 ? O1 Rh1 Rh1 86.99(14) . 2_667 ? C9 Rh1 Rh1 179.01(17) . 2_667 ? N2 C9 N1 106.9(6) . . ? N2 C9 Rh1 126.4(5) . . ? N1 C9 Rh1 126.6(5) . . ? C1 O5 Rh1 119.5(5) . . ? C7 O1 Rh1 119.7(5) . . ? C9 N2 C24 130.2(6) . . ? C9 N2 C11 113.8(6) . . ? C24 N2 C11 116.0(6) . . ? C7 O4 Rh1 119.3(5) 2_667 . ? C1 O8 Rh1 120.3(5) 2_667 . ? C9 N1 C12 130.1(6) . . ? C9 N1 C10 113.9(6) . . ? C12 N1 C10 116.0(6) . . ? C29 C24 C25 122.0(8) . . ? C29 C24 N2 118.7(8) . . ? C25 C24 N2 119.0(7) . . ? C24 C29 C28 117.9(8) . . ? C24 C29 C30 122.1(8) . . ? C28 C29 C30 120.0(8) . . ? C16 C17 C12 117.0(8) . . ? C16 C17 C18 120.1(8) . . ? C12 C17 C18 122.8(7) . . ? C13 C12 C17 121.9(8) . . ? C13 C12 N1 120.0(7) . . ? C17 C12 N1 117.9(7) . . ? C26 C25 C24 117.8(8) . . ? C26 C25 C33 118.9(9) . . ? C24 C25 C33 123.3(8) . . ? C31 C30 C29 112.1(9) . . ? C31 C30 C32 110.1(8) . . ? C29 C30 C32 110.7(8) . . ? C31 C30 H16 107.9 . . ? C29 C30 H16 107.9 . . ? C32 C30 H16 107.9 . . ? C12 C13 C14 117.8(8) . . ? C12 C13 C21 122.4(8) . . ? C14 C13 C21 119.8(9) . . ? C1 C2 H18A 109.5 . . ? C1 C2 H18B 109.5 . . ? H18A C2 H18B 109.5 . . ? C1 C2 H18C 109.5 . . ? H18A C2 H18C 109.5 . . ? H18B C2 H18C 109.5 . . ? N2 C11 C10 101.9(6) . . ? N2 C11 H19A 111.4 . . ? C10 C11 H19A 111.4 . . ? N2 C11 H19B 111.4 . . ? C10 C11 H19B 111.4 . . ? H19A C11 H19B 109.2 . . ? C25 C26 C27 121.2(9) . . ? C25 C26 H20 119.4 . . ? C27 C26 H20 119.4 . . ? O1 C7 O4 126.7(7) . 2_667 ? O1 C7 C8 116.3(7) . . ? O4 C7 C8 116.9(7) 2_667 . ? C13 C21 C22 112.5(9) . . ? C13 C21 C23 110.9(8) . . ? C22 C21 C23 109.0(9) . . ? C13 C21 H22 108.1 . . ? C22 C21 H22 108.1 . . ? C23 C21 H22 108.1 . . ? C27 C28 C29 121.4(8) . . ? C27 C28 H23 119.3 . . ? C29 C28 H23 119.3 . . ? C34 C33 C25 111.7(8) . . ? C34 C33 C260 110.3(9) . . ? C25 C33 C260 110.3(8) . . ? C34 C33 H25 108.1 . . ? C25 C33 H25 108.1 . . ? C260 C33 H25 108.1 . . ? C28 C27 C26 119.6(9) . . ? C28 C27 H26 120.2 . . ? C26 C27 H26 120.2 . . ? N1 C10 C11 102.7(6) . . ? N1 C10 H28A 111.2 . . ? C11 C10 H28A 111.2 . . ? N1 C10 H28B 111.2 . . ? C11 C10 H28B 111.2 . . ? H28A C10 H28B 109.1 . . ? C17 C18 C20 113.2(8) . . ? C17 C18 C19 110.3(8) . . ? C20 C18 C19 108.1(9) . . ? C17 C18 H29 108.4 . . ? C20 C18 H29 108.4 . . ? C19 C18 H29 108.4 . . ? C15 C16 C17 121.8(9) . . ? C15 C16 H30 119.1 . . ? C17 C16 H30 119.1 . . ? C7 C8 H31A 109.5 . . ? C7 C8 H31B 109.5 . . ? H31A C8 H31B 109.5 . . ? C7 C8 H31C 109.5 . . ? H31A C8 H31C 109.5 . . ? H31B C8 H31C 109.5 . . ? C21 C23 H32A 109.5 . . ? C21 C23 H32B 109.5 . . ? H32A C23 H32B 109.5 . . ? C21 C23 H32C 109.5 . . ? H32A C23 H32C 109.5 . . ? H32B C23 H32C 109.5 . . ? O8 C1 O5 126.3(7) 2_667 . ? O8 C1 C2 118.0(6) 2_667 . ? O5 C1 C2 115.7(7) . . ? C30 C32 H34A 109.5 . . ? C30 C32 H34B 109.5 . . ? H34A C32 H34B 109.5 . . ? C30 C32 H34C 109.5 . . ? H34A C32 H34C 109.5 . . ? H34B C32 H34C 109.5 . . ? C33 C34 H35A 109.5 . . ? C33 C34 H35B 109.5 . . ? H35A C34 H35B 109.5 . . ? C33 C34 H35C 109.5 . . ? H35A C34 H35C 109.5 . . ? H35B C34 H35C 109.5 . . ? C18 C20 H36A 109.5 . . ? C18 C20 H36B 109.5 . . ? H36A C20 H36B 109.5 . . ? C18 C20 H36C 109.5 . . ? H36A C20 H36C 109.5 . . ? H36B C20 H36C 109.5 . . ? C15 C14 C13 121.6(9) . . ? C15 C14 H39 119.2 . . ? C13 C14 H39 119.2 . . ? C14 C15 C16 119.7(9) . . ? C14 C15 H40 120.1 . . ? C16 C15 H40 120.1 . . ? C33 C260 H41A 109.5 . . ? C33 C260 H41B 109.5 . . ? H41A C260 H41B 109.5 . . ? C33 C260 H41C 109.5 . . ? H41A C260 H41C 109.5 . . ? H41B C260 H41C 109.5 . . ? C21 C22 H42A 109.5 . . ? C21 C22 H42B 109.5 . . ? H42A C22 H42B 109.5 . . ? C21 C22 H42C 109.5 . . ? H42A C22 H42C 109.5 . . ? H42B C22 H42C 109.5 . . ? C18 C19 H44A 109.5 . . ? C18 C19 H44B 109.5 . . ? H44A C19 H44B 109.5 . . ? C18 C19 H44C 109.5 . . ? H44A C19 H44C 109.5 . . ? H44B C19 H44C 109.5 . . ? C30 C31 H46A 109.5 . . ? C30 C31 H46B 109.5 . . ? H46A C31 H46B 109.5 . . ? C30 C31 H46C 109.5 . . ? H46A C31 H46C 109.5 . . ? H46B C31 H46C 109.5 . . ? C08 C09 C05 113(2) . . ? C08 C09 C010 161(2) . . ? C05 C09 C010 85.0(17) . . ? C08 C09 C06 59.5(16) . . ? C05 C09 C06 53.1(15) . . ? C010 C09 C06 137.3(19) . . ? C05 C02 C01 116(2) . . ? C05 C02 C06 55.9(17) . . ? C01 C02 C06 60.4(15) . . ? C05 C02 C03 42.7(14) . . ? C01 C02 C03 158.6(18) . . ? C06 C02 C03 98.4(18) . . ? C01 C07 C06 61.4(15) . . ? C01 C07 C08 116.0(18) . . ? C06 C07 C08 54.5(15) . . ? C03 C04 C010 115(3) . . ? C03 C04 C05 42.4(17) . . ? C010 C04 C05 72.4(18) . . ? C09 C08 C07 125(2) . . ? C02 C05 C09 129(2) . . ? C02 C05 C04 131(3) . . ? C09 C05 C04 99(2) . . ? C07 C01 C02 120.9(18) . . ? C04 C03 C02 143(3) . . ? C09 C010 C04 104(2) . . ? C02 C06 C07 117(2) . . ? C02 C06 C09 122(2) . . ? C07 C06 C09 121(2) . . ? C013 C012 C011 132.2(16) . . ? C012 C013 C011 100.4(14) . 2_566 ? C012 C013 C014 140.7(14) . . ? C011 C013 C014 40.3(9) 2_566 . ? C011 C014 C013 58.9(13) 2_566 . ? C014 C011 C012 152(2) 2_566 . ? C014 C011 C013 80.9(17) 2_566 2_566 ? C012 C011 C013 127.3(18) . 2_566 ? _diffrn_measured_fraction_theta_max 0.993 _diffrn_reflns_theta_full 21.30 _diffrn_measured_fraction_theta_full 0.993 _refine_diff_density_max 1.429 _refine_diff_density_min -1.347 _refine_diff_density_rms 0.341