data_faque _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C38 H36 Cl3 N2 Rh' _chemical_formula_weight 729.95 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' 'Cl' 'Cl' 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Rh' 'Rh' -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Monoclinic _symmetry_space_group_name_H-M 'P 21/n' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' _cell_length_a 14.0608(11) _cell_length_b 14.9417(11) _cell_length_c 16.1758(12) _cell_angle_alpha 90.00 _cell_angle_beta 106.750(4) _cell_angle_gamma 90.00 _cell_volume 3254.2(4) _cell_formula_units_Z 4 _cell_measurement_temperature 133(2) _cell_measurement_reflns_used 9535 _cell_measurement_theta_min 2.18 _cell_measurement_theta_max 30.50 _exptl_crystal_description tablet _exptl_crystal_colour yellow _exptl_crystal_size_max 0.30 _exptl_crystal_size_mid 0.25 _exptl_crystal_size_min 0.20 _exptl_crystal_density_meas 'not measured' _exptl_crystal_density_diffrn 1.490 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1496 _exptl_absorpt_coefficient_mu 0.802 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.7331 _exptl_absorpt_correction_T_max 0.8561 _exptl_absorpt_process_details SADABS _exptl_special_details ; ? ; _diffrn_ambient_temperature 133(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 SMART 1000 CCD area detector' _diffrn_measurement_method 'phi and omega scans' _diffrn_detector_area_resol_mean 8.192 _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 68990 _diffrn_reflns_av_R_equivalents 0.0327 _diffrn_reflns_av_sigmaI/netI 0.0222 _diffrn_reflns_limit_h_min -20 _diffrn_reflns_limit_h_max 20 _diffrn_reflns_limit_k_min -21 _diffrn_reflns_limit_k_max 21 _diffrn_reflns_limit_l_min -23 _diffrn_reflns_limit_l_max 23 _diffrn_reflns_theta_min 1.69 _diffrn_reflns_theta_max 30.51 _reflns_number_total 9919 _reflns_number_gt 8107 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Bruker SMART' _computing_cell_refinement 'Bruker SAINT' _computing_data_reduction 'Bruker SAINT' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'Siemens XP' _computing_publication_material SHELXL-97 _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^)+(0.0342P)^2^+2.2158P] 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 'H at coord. double bonds free with SADI, rigid methyls, others riding' _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 9919 _refine_ls_number_parameters 415 _refine_ls_number_restraints 6 _refine_ls_R_factor_all 0.0422 _refine_ls_R_factor_gt 0.0290 _refine_ls_wR_factor_ref 0.0774 _refine_ls_wR_factor_gt 0.0689 _refine_ls_goodness_of_fit_ref 1.057 _refine_ls_restrained_S_all 1.057 _refine_ls_shift/su_max 0.002 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Rh Rh 0.497597(9) 0.156907(9) 0.292335(8) 0.02118(4) Uani 1 1 d . . . Cl1 Cl 0.64868(3) 0.18382(3) 0.40629(3) 0.02828(9) Uani 1 1 d . . . N1 N 0.45231(10) 0.34894(9) 0.31502(9) 0.0212(3) Uani 1 1 d . . . N2 N 0.39743(10) 0.27040(9) 0.40377(9) 0.0210(3) Uani 1 1 d . . . C1 C 0.44065(11) 0.26301(11) 0.33882(10) 0.0213(3) Uani 1 1 d . . . C2 C 0.38467(11) 0.36060(11) 0.42280(10) 0.0204(3) Uani 1 1 d . . . C3 C 0.41878(11) 0.41017(11) 0.36591(10) 0.0208(3) Uani 1 1 d . . . C4 C 0.41969(12) 0.50618(11) 0.36697(10) 0.0217(3) Uani 1 1 d . . . C5 C 0.46000(13) 0.55862(12) 0.31254(11) 0.0253(3) Uani 1 1 d . . . H5 H 0.4875 0.5303 0.2721 0.030 Uiso 1 1 calc R . . C6 C 0.45957(13) 0.65050(12) 0.31784(11) 0.0279(3) Uani 1 1 d . . . H6 H 0.4880 0.6854 0.2819 0.034 Uiso 1 1 calc R . . C7 C 0.41748(14) 0.69245(12) 0.37583(12) 0.0300(4) Uani 1 1 d . . . H7 H 0.4151 0.7559 0.3777 0.036 Uiso 1 1 calc R . . C8 C 0.37934(13) 0.64268(12) 0.43028(12) 0.0277(3) Uani 1 1 d . . . H8 H 0.3519 0.6724 0.4700 0.033 Uiso 1 1 calc R . . C9 C 0.38016(12) 0.54831(11) 0.42844(10) 0.0232(3) Uani 1 1 d . . . C10 C 0.34366(11) 0.49508(12) 0.48899(10) 0.0229(3) Uani 1 1 d . . . C11 C 0.30595(13) 0.53595(13) 0.55196(11) 0.0283(4) Uani 1 1 d . . . H11 H 0.3029 0.5994 0.5540 0.034 Uiso 1 1 calc R . . C12 C 0.27366(13) 0.48680(14) 0.61011(12) 0.0318(4) Uani 1 1 d . . . H12 H 0.2471 0.5162 0.6506 0.038 Uiso 1 1 calc R . . C13 C 0.27978(13) 0.39347(14) 0.61003(11) 0.0295(4) Uani 1 1 d . . . H13 H 0.2582 0.3594 0.6509 0.035 Uiso 1 1 calc R . . C14 C 0.31717(12) 0.35088(12) 0.55051(11) 0.0253(3) Uani 1 1 d . . . H14 H 0.3225 0.2875 0.5514 0.030 Uiso 1 1 calc R . . C15 C 0.34750(11) 0.40018(11) 0.48832(10) 0.0220(3) Uani 1 1 d . . . C21 C 0.47997(12) 0.36633(11) 0.23719(10) 0.0220(3) Uani 1 1 d . . . C22 C 0.40574(13) 0.38709(12) 0.16194(11) 0.0248(3) Uani 1 1 d . . . C23 C 0.43429(15) 0.40082(13) 0.08724(12) 0.0313(4) Uani 1 1 d . . . H23 H 0.3852 0.4147 0.0347 0.038 Uiso 1 1 calc R . . C24 C 0.53294(16) 0.39459(14) 0.08822(13) 0.0354(4) Uani 1 1 d . . . H24 H 0.5509 0.4054 0.0368 0.042 Uiso 1 1 calc R . . C25 C 0.60535(14) 0.37274(14) 0.16355(13) 0.0332(4) Uani 1 1 d . . . H25 H 0.6728 0.3678 0.1637 0.040 Uiso 1 1 calc R . . C26 C 0.57919(13) 0.35803(12) 0.23881(12) 0.0267(3) Uani 1 1 d . . . H26 H 0.6283 0.3425 0.2908 0.032 Uiso 1 1 calc R . . C27 C 0.29834(13) 0.39497(14) 0.15998(12) 0.0309(4) Uani 1 1 d . . . H27A H 0.2854 0.4556 0.1771 0.037 Uiso 1 1 calc R . . H27B H 0.2838 0.3516 0.2001 0.037 Uiso 1 1 calc R . . H27C H 0.2559 0.3829 0.1014 0.037 Uiso 1 1 calc R . . C31 C 0.36312(12) 0.19319(11) 0.43997(10) 0.0223(3) Uani 1 1 d . . . C32 C 0.26088(13) 0.17983(12) 0.42333(11) 0.0258(3) Uani 1 1 d . . . C33 C 0.23129(14) 0.10484(13) 0.46077(12) 0.0311(4) Uani 1 1 d . . . H33 H 0.1624 0.0938 0.4514 0.037 Uiso 1 1 calc R . . C34 C 0.29982(15) 0.04597(13) 0.51138(13) 0.0333(4) Uani 1 1 d . . . H34 H 0.2776 -0.0040 0.5371 0.040 Uiso 1 1 calc R . . C35 C 0.40042(15) 0.05943(12) 0.52474(12) 0.0313(4) Uani 1 1 d . . . H35 H 0.4472 0.0182 0.5585 0.038 Uiso 1 1 calc R . . C36 C 0.43279(13) 0.13360(12) 0.48855(11) 0.0262(3) Uani 1 1 d . . . H36 H 0.5017 0.1434 0.4970 0.031 Uiso 1 1 calc R . . C37 C 0.18569(13) 0.24349(14) 0.36872(13) 0.0331(4) Uani 1 1 d . . . H37A H 0.1192 0.2171 0.3563 0.040 Uiso 1 1 calc R . . H37B H 0.2014 0.2547 0.3144 0.040 Uiso 1 1 calc R . . H37C H 0.1875 0.3000 0.3998 0.040 Uiso 1 1 calc R . . C41 C 0.35991(13) 0.09500(13) 0.23748(13) 0.0302(4) Uani 1 1 d D . . H41 H 0.3156(15) 0.1164(15) 0.2666(14) 0.033(6) Uiso 1 1 d D . . C42 C 0.37968(13) 0.15281(13) 0.17582(12) 0.0291(4) Uani 1 1 d D . . H42 H 0.3436(14) 0.2055(11) 0.1695(13) 0.025(5) Uiso 1 1 d D . . C43 C 0.41257(15) 0.12199(16) 0.09911(13) 0.0377(4) Uani 1 1 d . . . H43A H 0.3849 0.1631 0.0500 0.045 Uiso 1 1 calc R . . H43B H 0.3852 0.0616 0.0816 0.045 Uiso 1 1 calc R . . C44 C 0.52485(16) 0.11893(17) 0.11799(13) 0.0402(5) Uani 1 1 d . . . H44A H 0.5422 0.0748 0.0790 0.048 Uiso 1 1 calc R . . H44B H 0.5486 0.1783 0.1053 0.048 Uiso 1 1 calc R . . C45 C 0.57806(14) 0.09406(14) 0.21069(12) 0.0326(4) Uani 1 1 d D . . H45 H 0.6411(13) 0.1186(15) 0.2339(14) 0.035(6) Uiso 1 1 d D . . C46 C 0.55290(14) 0.02659(13) 0.25789(13) 0.0317(4) Uani 1 1 d D . . H46 H 0.5998(14) 0.0100(14) 0.3106(11) 0.026(5) Uiso 1 1 d D . . C47 C 0.46791(16) -0.03770(14) 0.22367(16) 0.0398(5) Uani 1 1 d . . . H47A H 0.4860 -0.0968 0.2515 0.048 Uiso 1 1 calc R . . H47B H 0.4565 -0.0454 0.1608 0.048 Uiso 1 1 calc R . . C48 C 0.37216(15) -0.00527(14) 0.24026(16) 0.0384(4) Uani 1 1 d . . . H48A H 0.3150 -0.0322 0.1966 0.046 Uiso 1 1 calc R . . H48B H 0.3705 -0.0270 0.2977 0.046 Uiso 1 1 calc R . . C99 C 0.88396(17) 0.22336(16) 0.38675(17) 0.0453(5) Uani 1 1 d . . . H99A H 0.9432 0.2432 0.4329 0.054 Uiso 1 1 calc R . . H99B H 0.8271 0.2212 0.4113 0.054 Uiso 1 1 calc R . . Cl2 Cl 0.90533(5) 0.11618(4) 0.35222(4) 0.04729(13) Uani 1 1 d . . . Cl3 Cl 0.85849(7) 0.30082(6) 0.30168(7) 0.0843(3) Uani 1 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Rh 0.01830(6) 0.02567(7) 0.02162(6) -0.00142(5) 0.00902(5) 0.00069(5) Cl1 0.02272(18) 0.0345(2) 0.02705(19) -0.00113(16) 0.00627(15) 0.00063(15) N1 0.0221(6) 0.0251(7) 0.0185(6) 0.0007(5) 0.0093(5) 0.0012(5) N2 0.0203(6) 0.0242(6) 0.0202(6) -0.0004(5) 0.0085(5) 0.0002(5) C1 0.0174(6) 0.0273(8) 0.0196(7) 0.0010(6) 0.0061(6) -0.0002(6) C2 0.0177(6) 0.0255(8) 0.0179(7) -0.0011(5) 0.0051(6) 0.0006(5) C3 0.0183(7) 0.0266(8) 0.0179(7) -0.0007(6) 0.0059(6) 0.0012(6) C4 0.0186(7) 0.0259(8) 0.0193(7) 0.0000(6) 0.0033(6) 0.0010(6) C5 0.0247(8) 0.0288(8) 0.0208(7) 0.0009(6) 0.0040(6) -0.0009(6) C6 0.0272(8) 0.0284(8) 0.0250(8) 0.0039(6) 0.0023(7) -0.0018(7) C7 0.0300(9) 0.0251(8) 0.0299(9) -0.0013(7) 0.0009(7) 0.0003(7) C8 0.0255(8) 0.0298(9) 0.0256(8) -0.0050(6) 0.0037(7) 0.0029(6) C9 0.0189(7) 0.0288(8) 0.0203(7) -0.0022(6) 0.0030(6) 0.0019(6) C10 0.0174(7) 0.0307(8) 0.0193(7) -0.0029(6) 0.0033(6) 0.0019(6) C11 0.0246(8) 0.0344(9) 0.0254(8) -0.0068(7) 0.0063(7) 0.0046(7) C12 0.0249(8) 0.0475(11) 0.0259(8) -0.0094(8) 0.0117(7) 0.0032(7) C13 0.0237(8) 0.0449(10) 0.0222(8) -0.0028(7) 0.0102(7) -0.0021(7) C14 0.0225(7) 0.0341(9) 0.0205(7) -0.0019(6) 0.0078(6) -0.0021(6) C15 0.0172(7) 0.0301(8) 0.0181(7) -0.0018(6) 0.0045(6) 0.0012(6) C21 0.0252(7) 0.0237(7) 0.0199(7) -0.0009(6) 0.0112(6) -0.0012(6) C22 0.0265(8) 0.0276(8) 0.0224(7) 0.0004(6) 0.0106(6) 0.0010(6) C23 0.0378(10) 0.0370(10) 0.0220(8) 0.0025(7) 0.0132(7) 0.0031(8) C24 0.0422(11) 0.0432(11) 0.0288(9) 0.0023(8) 0.0232(8) -0.0013(8) C25 0.0283(9) 0.0418(10) 0.0351(10) -0.0008(8) 0.0182(8) -0.0029(8) C26 0.0239(8) 0.0316(9) 0.0271(8) -0.0011(6) 0.0111(7) -0.0025(6) C27 0.0261(8) 0.0420(10) 0.0259(8) 0.0043(7) 0.0094(7) 0.0049(7) C31 0.0246(7) 0.0243(7) 0.0211(7) -0.0006(6) 0.0115(6) -0.0019(6) C32 0.0241(8) 0.0310(8) 0.0239(8) -0.0041(6) 0.0096(7) -0.0037(6) C33 0.0297(9) 0.0354(9) 0.0329(9) -0.0052(7) 0.0164(8) -0.0095(7) C34 0.0417(10) 0.0303(9) 0.0339(9) -0.0005(7) 0.0205(8) -0.0081(8) C35 0.0385(10) 0.0280(9) 0.0316(9) 0.0034(7) 0.0166(8) 0.0033(7) C36 0.0263(8) 0.0287(8) 0.0265(8) 0.0008(6) 0.0122(7) 0.0010(6) C37 0.0225(8) 0.0427(10) 0.0319(9) -0.0011(8) 0.0041(7) -0.0031(7) C41 0.0211(8) 0.0340(9) 0.0379(10) -0.0067(7) 0.0123(7) -0.0024(7) C42 0.0229(8) 0.0331(9) 0.0293(8) -0.0042(7) 0.0046(7) -0.0004(7) C43 0.0360(10) 0.0501(12) 0.0257(9) -0.0043(8) 0.0066(8) -0.0007(9) C44 0.0359(10) 0.0632(14) 0.0246(9) -0.0042(9) 0.0136(8) -0.0053(10) C45 0.0248(8) 0.0482(11) 0.0282(9) -0.0067(8) 0.0132(7) 0.0023(8) C46 0.0273(8) 0.0344(9) 0.0346(9) -0.0076(8) 0.0111(8) 0.0073(7) C47 0.0387(10) 0.0309(10) 0.0512(12) -0.0080(9) 0.0153(10) 0.0003(8) C48 0.0329(9) 0.0335(10) 0.0529(12) -0.0047(9) 0.0190(9) -0.0069(8) C99 0.0380(11) 0.0453(12) 0.0575(14) -0.0068(10) 0.0219(10) -0.0006(9) Cl2 0.0607(3) 0.0491(3) 0.0354(3) -0.0020(2) 0.0192(2) 0.0114(3) Cl3 0.0751(5) 0.0616(5) 0.1319(8) 0.0421(5) 0.0547(5) 0.0164(4) _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 Rh C1 2.0167(16) . ? Rh C41 2.0979(18) . ? Rh C42 2.1222(18) . ? Rh C45 2.1834(18) . ? Rh C46 2.2262(18) . ? Rh Cl1 2.4115(5) . ? N1 C1 1.364(2) . ? N1 C3 1.400(2) . ? N1 C21 1.444(2) . ? N2 C1 1.361(2) . ? N2 C2 1.405(2) . ? N2 C31 1.439(2) . ? C2 C3 1.371(2) . ? C2 C15 1.437(2) . ? C3 C4 1.435(2) . ? C4 C5 1.414(2) . ? C4 C9 1.419(2) . ? C5 C6 1.376(2) . ? C6 C7 1.394(3) . ? C7 C8 1.374(3) . ? C8 C9 1.410(2) . ? C9 C10 1.464(2) . ? C10 C11 1.415(2) . ? C10 C15 1.419(2) . ? C11 C12 1.370(3) . ? C12 C13 1.397(3) . ? C13 C14 1.378(2) . ? C14 C15 1.409(2) . ? C21 C22 1.391(2) . ? C21 C26 1.393(2) . ? C22 C23 1.394(2) . ? C22 C27 1.506(2) . ? C23 C24 1.386(3) . ? C24 C25 1.383(3) . ? C25 C26 1.387(3) . ? C31 C36 1.388(2) . ? C31 C32 1.398(2) . ? C32 C33 1.393(3) . ? C32 C37 1.505(3) . ? C33 C34 1.385(3) . ? C34 C35 1.383(3) . ? C35 C36 1.390(3) . ? C41 C42 1.406(3) . ? C41 C48 1.507(3) . ? C42 C43 1.515(3) . ? C43 C44 1.520(3) . ? C44 C45 1.516(3) . ? C45 C46 1.371(3) . ? C46 C47 1.509(3) . ? C47 C48 1.526(3) . ? C99 Cl2 1.750(2) . ? C99 Cl3 1.754(3) . ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag C1 Rh C41 95.00(7) . . ? C1 Rh C42 93.51(7) . . ? C41 Rh C42 38.93(8) . . ? C1 Rh C45 153.42(7) . . ? C41 Rh C45 97.49(7) . . ? C42 Rh C45 81.88(7) . . ? C1 Rh C46 170.31(7) . . ? C41 Rh C46 81.65(7) . . ? C42 Rh C46 89.56(7) . . ? C45 Rh C46 36.21(8) . . ? C1 Rh Cl1 86.61(5) . . ? C41 Rh Cl1 154.04(6) . . ? C42 Rh Cl1 166.99(5) . . ? C45 Rh Cl1 92.19(5) . . ? C46 Rh Cl1 92.46(5) . . ? C1 N1 C3 111.16(13) . . ? C1 N1 C21 119.99(13) . . ? C3 N1 C21 128.01(14) . . ? C1 N2 C2 111.12(13) . . ? C1 N2 C31 121.72(14) . . ? C2 N2 C31 126.94(13) . . ? N2 C1 N1 104.96(14) . . ? N2 C1 Rh 131.68(12) . . ? N1 C1 Rh 122.81(11) . . ? C3 C2 N2 106.23(14) . . ? C3 C2 C15 123.00(15) . . ? N2 C2 C15 130.74(15) . . ? C2 C3 N1 106.49(14) . . ? C2 C3 C4 122.39(15) . . ? N1 C3 C4 131.08(15) . . ? C5 C4 C9 119.94(15) . . ? C5 C4 C3 123.41(15) . . ? C9 C4 C3 116.63(15) . . ? C6 C5 C4 120.31(17) . . ? C5 C6 C7 120.07(17) . . ? C8 C7 C6 120.51(17) . . ? C7 C8 C9 121.35(17) . . ? C8 C9 C4 117.75(16) . . ? C8 C9 C10 121.48(16) . . ? C4 C9 C10 120.76(15) . . ? C11 C10 C15 117.36(16) . . ? C11 C10 C9 121.55(16) . . ? C15 C10 C9 121.07(15) . . ? C12 C11 C10 122.00(17) . . ? C11 C12 C13 120.12(17) . . ? C14 C13 C12 119.83(17) . . ? C13 C14 C15 120.83(17) . . ? C14 C15 C10 119.80(15) . . ? C14 C15 C2 124.12(15) . . ? C10 C15 C2 116.07(15) . . ? C22 C21 C26 122.06(15) . . ? C22 C21 N1 118.71(14) . . ? C26 C21 N1 119.17(14) . . ? C21 C22 C23 117.43(16) . . ? C21 C22 C27 122.05(15) . . ? C23 C22 C27 120.52(16) . . ? C24 C23 C22 121.17(17) . . ? C25 C24 C23 120.41(17) . . ? C24 C25 C26 119.77(17) . . ? C25 C26 C21 119.14(17) . . ? C36 C31 C32 122.41(16) . . ? C36 C31 N2 118.70(15) . . ? C32 C31 N2 118.87(15) . . ? C33 C32 C31 116.77(17) . . ? C33 C32 C37 121.08(16) . . ? C31 C32 C37 122.14(16) . . ? C34 C33 C32 121.59(17) . . ? C35 C34 C33 120.41(17) . . ? C34 C35 C36 119.64(18) . . ? C31 C36 C35 119.12(17) . . ? C42 C41 C48 125.98(18) . . ? C42 C41 Rh 71.47(10) . . ? C48 C41 Rh 110.00(13) . . ? C41 C42 C43 124.29(18) . . ? C41 C42 Rh 69.60(10) . . ? C43 C42 Rh 113.03(13) . . ? C42 C43 C44 112.90(16) . . ? C45 C44 C43 113.20(17) . . ? C46 C45 C44 126.72(19) . . ? C46 C45 Rh 73.59(11) . . ? C44 C45 Rh 107.38(13) . . ? C45 C46 C47 124.61(19) . . ? C45 C46 Rh 70.19(11) . . ? C47 C46 Rh 110.60(12) . . ? C46 C47 C48 112.27(16) . . ? C41 C48 C47 114.17(17) . . ? Cl2 C99 Cl3 111.61(14) . . ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_site_symmetry_A C8 H8 Cl1 0.95 2.94 3.8032(18) 152.2 3_666 C34 H34 Cl1 0.95 2.93 3.678(2) 136.5 3_656 C99 H99B Cl1 0.99 2.55 3.464(2) 153.6 . C47 H47A Cl3 0.99 2.99 3.539(2) 116.1 2_645 _diffrn_measured_fraction_theta_max 0.998 _diffrn_reflns_theta_full 30.00 _diffrn_measured_fraction_theta_full 0.999 _refine_diff_density_max 0.631 _refine_diff_density_min -0.467 _refine_diff_density_rms 0.076