############################################################################ # # # # # ### # # ### ### # ### # # ### # # ### # ### # # # # # # # # # # # # # ## ## # ## # # # # # # # # # # ### # # ### ### # ### # # # ### # ## # ### ### # # # # # # # # # # # # # # # # # # ## # # # ### ### # # ### ### # # ### # # # # # # # # # # # # # # # # # ### ### ### # # # # # ## ## # # # # # # # # # # # # # # # ### # ### ### # ### # # # # # # # # # ## # # # # # # # # # # # ### # # # # # ### # # # # # ############################################################################ ############################################################################ # # # This Supplementary Material is written in the Crystallographic # # Information File (CIF) format. For further details see: S.R. Hall, # # F.H. Allen and I.D. Brown, Acta Cryst. (1991) A47, 655-685. # # # ############################################################################ data_5766 ############################################################################ # # _publ_requested_journal 'J.Am.Chem.Soc.' #_publ_requested_category ?FI ; full inorganic #_publ_requested_category ?FM ; full organometallic #_publ_requested_category ?FO ; full organic #?If CI, CM or CO remember to remove section "..._molecular_graphics" #_publ_requested_category ?CI ; electronic inorganic #_publ_requested_category ?CM ; electronic organometallic #_publ_requested_category ?CO ; electronic organic _publ_section_title ; Effective Modulation of the Donor Properties of N-Heterocyclic Carbene Ligands by 'Through Space' Communication within a Planar Chiral Scaffold ; loop_ _publ_author_name _publ_author_address 'A. F\"urstner' ; Max-Planck-Institut f\"ur Kohlenforschung Kaiser-Wilhelm-Platz 1 D-45470 M\"ulheim an der Ruhr Germany ; 'M. Alcarazo' ; Max-Planck-Institut f\"ur Kohlenforschung Kaiser-Wilhelm-Platz 1 D-45470 M\"ulheim an der Ruhr Germany ; 'H. Krause' ; Max-Planck-Institut f\"ur Kohlenforschung Kaiser-Wilhelm-Platz 1 D-45470 M\"ulheim an der Ruhr Germany ; 'C.W. Lehmann' ; Max-Planck-Institut f\"ur Kohlenforschung Kaiser-Wilhelm-Platz 1 D-45470 M\"ulheim an der Ruhr Germany ; # # ############################################################################ _audit_creation_date 2007-02-16 _audit_block_code 'AVM-AA-341-01' _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_compound_source 'AcOEt' _chemical_formula_moiety 'C26 H30 Cl N2 Rh' _chemical_formula_sum 'C26 H30 Cl N2 Rh' _chemical_formula_weight 508.88 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 'P21/c' _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_Int_Tables_number 14 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 19.2002(2) _cell_length_b 6.91270(10) _cell_length_c 18.6081(2) _cell_angle_alpha 90.00 _cell_angle_beta 117.46 _cell_angle_gamma 90.00 _cell_volume 2191.48(5) _cell_formula_units_Z 4 _cell_measurement_temperature 100 _cell_measurement_reflns_used 173833 _cell_measurement_theta_min 2.91 _cell_measurement_theta_max 36.32 _exptl_crystal_description block _exptl_crystal_colour yellow _exptl_crystal_size_max 0.12 _exptl_crystal_size_mid 0.10 _exptl_crystal_size_min 0.10 _exptl_crystal_density_meas none _exptl_crystal_density_diffrn 1.542 _exptl_crystal_density_method none _exptl_crystal_F_000 1048 _exptl_absorpt_coefficient_mu 0.917 _exptl_absorpt_correction_type empirical _exptl_absorpt_process_details 'SADABS, Bruker AXS (2004)' _exptl_absorpt_correction_T_min 0.60 _exptl_absorpt_correction_T_max 1.00 _diffrn_ambient_temperature 100 _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source '0.3 mm focus rotating anode' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Nonius KappaCCD' _diffrn_measurement_method 'CCD \w-scan' _diffrn_standards_number 0 _diffrn_standards_decay_% 0.00 _diffrn_reflns_number 47517 _diffrn_reflns_av_R_equivalents 0.0284 _diffrn_reflns_av_sigmaI/netI 0.0158 _diffrn_reflns_limit_h_min -24 _diffrn_reflns_limit_h_max 24 _diffrn_reflns_limit_k_min -8 _diffrn_reflns_limit_k_max 8 _diffrn_reflns_limit_l_min -24 _diffrn_reflns_limit_l_max 24 _diffrn_reflns_theta_min 3.18 _diffrn_reflns_theta_max 27.50 _reflns_number_total 5004 _reflns_number_gt 4919 _reflns_threshold_expression I>2\s(I) _computing_data_collection 'Collect software (Nonius, 1998)' _computing_cell_refinement 'Denzo / Scalepack (Otwinowski 1997)' _computing_data_reduction 'Denzo / Scalepack (Otwinowski 1997)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'DIAMOND (Crystal Impact GbR, 2005)' _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^)+(0.0606P)^2^+10.1525P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment constr _refine_ls_extinction_method none _refine_ls_number_reflns 5004 _refine_ls_number_parameters 272 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0466 _refine_ls_R_factor_gt 0.0460 _refine_ls_wR_factor_ref 0.1791 _refine_ls_wR_factor_gt 0.1789 _refine_ls_goodness_of_fit_ref 1.646 _refine_ls_restrained_S_all 1.646 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group C1 C 0.2349(3) 0.4854(7) 0.4275(3) 0.0119(9) Uani 1 1 d . . . C2 C 0.2909(3) 0.4389(7) 0.3313(3) 0.0137(9) Uani 1 1 d . . . C3 C 0.2881(3) 0.5146(8) 0.2628(3) 0.0175(10) Uani 1 1 d . . . H3 H 0.3297 0.4914 0.2514 0.021 Uiso 1 1 calc R . . C4 C 0.2231(3) 0.6297(7) 0.2071(3) 0.0168(10) Uani 1 1 d . . . H4 H 0.2228 0.6762 0.1601 0.020 Uiso 1 1 calc R . . C5 C 0.1620(3) 0.6712(7) 0.2225(3) 0.0154(9) Uani 1 1 d . . . C6 C 0.1737(3) 0.6324(7) 0.3029(3) 0.0132(9) Uani 1 1 d . . . C7 C 0.1320(3) 0.6727(8) 0.3437(3) 0.0142(9) Uani 1 1 d . . . H7 H 0.0867 0.7474 0.3251 0.017 Uiso 1 1 calc R . . C8 C 0.3315(3) 0.2513(8) 0.3676(3) 0.0167(10) Uani 1 1 d . . . H8A H 0.3511 0.2564 0.4258 0.020 Uiso 1 1 calc R . . H8B H 0.3762 0.2367 0.3571 0.020 Uiso 1 1 calc R . . C9 C 0.2761(3) 0.0670(8) 0.3330(3) 0.0211(11) Uani 1 1 d . . . H9A H 0.2999 -0.0233 0.3109 0.025 Uiso 1 1 calc R . . H9B H 0.2715 0.0028 0.3770 0.025 Uiso 1 1 calc R . . C10 C 0.1953(3) 0.1204(7) 0.2679(3) 0.0177(10) Uani 1 1 d . . . C11 C 0.1808(3) 0.1591(8) 0.1886(3) 0.0191(10) Uani 1 1 d . . . H11 H 0.2143 0.1084 0.1699 0.023 Uiso 1 1 calc R . . C12 C 0.1176(3) 0.2711(8) 0.1372(3) 0.0200(10) Uani 1 1 d . . . H12 H 0.1087 0.2931 0.0843 0.024 Uiso 1 1 calc R . . C13 C 0.0668(3) 0.3521(8) 0.1645(3) 0.0180(10) Uani 1 1 d . . . C14 C 0.0733(3) 0.2825(8) 0.2382(3) 0.0189(10) Uani 1 1 d . . . H14 H 0.0347 0.3139 0.2533 0.023 Uiso 1 1 calc R . . C15 C 0.1359(3) 0.1682(8) 0.2889(3) 0.0181(10) Uani 1 1 d . . . H15 H 0.1387 0.1226 0.3371 0.022 Uiso 1 1 calc R . . C16 C 0.0235(3) 0.5385(9) 0.1291(3) 0.0227(11) Uani 1 1 d . . . H16A H -0.0168 0.5567 0.1461 0.027 Uiso 1 1 calc R . . H16B H -0.0021 0.5298 0.0705 0.027 Uiso 1 1 calc R . . C17 C 0.0806(3) 0.7193(8) 0.1567(3) 0.0193(10) Uani 1 1 d . . . H17A H 0.0846 0.7702 0.1101 0.023 Uiso 1 1 calc R . . H17B H 0.0582 0.8196 0.1761 0.023 Uiso 1 1 calc R . . C18 C 0.1437(3) 0.5952(9) 0.4802(3) 0.0194(10) Uani 1 1 d . . . H18A H 0.1651 0.4893 0.5174 0.029 Uiso 1 1 calc R . . H18B H 0.0874 0.5904 0.4553 0.029 Uiso 1 1 calc R . . H18C H 0.1616 0.7152 0.5090 0.029 Uiso 1 1 calc R . . C21 C 0.4023(3) 0.5682(8) 0.5435(3) 0.0160(10) Uani 1 1 d . . . H21 H 0.3806 0.5677 0.4874 0.019 Uiso 1 1 calc R . . C22 C 0.3557(3) 0.6357(7) 0.5788(3) 0.0166(10) Uani 1 1 d . . . H22 H 0.3061 0.6831 0.5441 0.020 Uiso 1 1 calc R . . C23 C 0.3804(3) 0.6371(8) 0.6688(3) 0.0216(11) Uani 1 1 d . . . H23A H 0.3343 0.6573 0.6765 0.026 Uiso 1 1 calc R . . H23B H 0.4156 0.7452 0.6935 0.026 Uiso 1 1 calc R . . C24 C 0.4215(3) 0.4495(9) 0.7126(3) 0.0230(11) Uani 1 1 d . . . H24A H 0.4774 0.4605 0.7301 0.028 Uiso 1 1 calc R . . H24B H 0.4142 0.4329 0.7604 0.028 Uiso 1 1 calc R . . C25 C 0.3898(3) 0.2722(9) 0.6585(3) 0.0205(11) Uani 1 1 d . . . H25 H 0.3458 0.2120 0.6569 0.025 Uiso 1 1 calc R . . C26 C 0.4211(3) 0.1945(8) 0.6118(3) 0.0183(10) Uani 1 1 d . . . H26 H 0.3974 0.0833 0.5826 0.022 Uiso 1 1 calc R . . C27 C 0.4904(3) 0.2724(9) 0.6034(3) 0.0215(11) Uani 1 1 d . . . H27A H 0.4918 0.2129 0.5569 0.026 Uiso 1 1 calc R . . H27B H 0.5385 0.2379 0.6512 0.026 Uiso 1 1 calc R . . C28 C 0.4867(3) 0.4955(9) 0.5930(3) 0.0184(10) Uani 1 1 d . . . H28A H 0.5097 0.5561 0.6460 0.022 Uiso 1 1 calc R . . H28B H 0.5174 0.5334 0.5661 0.022 Uiso 1 1 calc R . . N1 N 0.2379(2) 0.5173(6) 0.3563(2) 0.0117(8) Uani 1 1 d . . . N2 N 0.1697(2) 0.5814(6) 0.4177(2) 0.0129(8) Uani 1 1 d . . . Cl1 Cl 0.23052(7) 0.09036(19) 0.51242(8) 0.0198(3) Uani 1 1 d . . . Rh1 Rh 0.31602(2) 0.35874(5) 0.53119(2) 0.01103(15) Uani 1 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 C1 0.0095(19) 0.014(2) 0.012(2) -0.0014(17) 0.0052(17) -0.0010(17) C2 0.011(2) 0.016(2) 0.015(2) -0.0049(18) 0.0070(17) -0.0021(18) C3 0.017(2) 0.018(2) 0.023(2) -0.006(2) 0.013(2) -0.0064(19) C4 0.023(3) 0.015(2) 0.016(2) -0.0024(18) 0.012(2) -0.0077(19) C5 0.018(2) 0.012(2) 0.015(2) 0.0016(18) 0.0067(19) -0.0014(18) C6 0.013(2) 0.014(2) 0.013(2) -0.0014(17) 0.0060(18) -0.0018(17) C7 0.012(2) 0.016(2) 0.014(2) 0.0013(18) 0.0053(18) 0.0011(18) C8 0.014(2) 0.017(2) 0.021(2) -0.0046(19) 0.0099(19) 0.0002(19) C9 0.020(2) 0.016(3) 0.024(3) -0.003(2) 0.007(2) -0.004(2) C10 0.018(2) 0.012(2) 0.022(3) -0.0042(18) 0.008(2) -0.0055(18) C11 0.021(3) 0.016(2) 0.023(3) -0.0080(19) 0.012(2) -0.0050(19) C12 0.025(3) 0.021(3) 0.013(2) -0.0043(19) 0.008(2) -0.006(2) C13 0.013(2) 0.019(3) 0.017(2) -0.0042(18) 0.0032(19) -0.0053(18) C14 0.016(2) 0.022(3) 0.021(2) -0.006(2) 0.010(2) -0.008(2) C15 0.020(2) 0.016(2) 0.019(2) -0.0033(19) 0.009(2) -0.009(2) C16 0.015(2) 0.026(3) 0.021(3) -0.002(2) 0.003(2) -0.003(2) C17 0.021(2) 0.021(3) 0.013(2) 0.0019(19) 0.005(2) -0.003(2) C18 0.019(2) 0.027(3) 0.017(2) 0.002(2) 0.013(2) 0.005(2) C21 0.013(2) 0.019(2) 0.014(2) 0.0007(18) 0.0043(18) -0.0039(19) C22 0.016(2) 0.015(2) 0.017(2) -0.0026(18) 0.006(2) -0.0035(18) C23 0.020(3) 0.027(3) 0.017(2) -0.005(2) 0.007(2) 0.000(2) C24 0.022(3) 0.035(3) 0.011(2) 0.002(2) 0.007(2) 0.001(2) C25 0.019(2) 0.029(3) 0.013(2) 0.009(2) 0.0071(19) 0.002(2) C26 0.017(2) 0.017(2) 0.016(2) 0.003(2) 0.0041(19) 0.002(2) C27 0.015(2) 0.034(3) 0.016(2) 0.002(2) 0.0072(19) 0.005(2) C28 0.012(2) 0.029(3) 0.015(2) 0.002(2) 0.0069(18) -0.001(2) N1 0.0102(17) 0.0123(19) 0.0134(18) -0.0011(15) 0.0061(15) -0.0020(15) N2 0.0107(18) 0.017(2) 0.0120(18) 0.0012(16) 0.0062(15) 0.0015(16) Cl1 0.0186(6) 0.0160(6) 0.0246(6) 0.0022(5) 0.0099(5) -0.0044(5) Rh1 0.0095(2) 0.0116(2) 0.0119(2) 0.00140(12) 0.00485(16) -0.00016(12) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag C1 N2 1.353(6) . Y C1 N1 1.371(6) . Y C1 Rh1 2.035(5) . Y C2 C3 1.357(7) . Y C2 N1 1.407(6) . Y C2 C8 1.503(7) . Y C3 C4 1.440(8) . Y C3 H3 0.9300 . N C4 C5 1.360(8) . Y C4 H4 0.9300 . N C5 C6 1.433(7) . Y C5 C17 1.512(7) . Y C6 C7 1.362(7) . Y C6 N1 1.418(6) . Y C7 N2 1.379(6) . Y C7 H7 0.9300 . N C8 C9 1.593(7) . Y C8 H8A 0.9700 . N C8 H8B 0.9700 . N C9 C10 1.509(8) . Y C9 H9A 0.9700 . N C9 H9B 0.9700 . N C10 C11 1.395(8) . Y C10 C15 1.404(8) . Y C11 C12 1.384(8) . Y C11 H11 0.9300 . N C12 C13 1.408(8) . Y C12 H12 0.9300 . N C13 C14 1.404(8) . Y C13 C16 1.510(8) . Y C14 C15 1.383(8) . Y C14 H14 0.9300 . N C15 H15 0.9300 . N C16 C17 1.584(8) . Y C16 H16A 0.9700 . N C16 H16B 0.9700 . N C17 H17A 0.9700 . N C17 H17B 0.9700 . N C18 N2 1.466(6) . Y C18 H18A 0.9600 . N C18 H18B 0.9600 . N C18 H18C 0.9600 . N C21 C22 1.409(7) . Y C21 C28 1.533(7) . Y C21 Rh1 2.131(5) . Y C21 H21 0.9300 . N C22 C23 1.517(7) . Y C22 Rh1 2.100(5) . Y C22 H22 0.9300 . N C23 C24 1.541(8) . Y C23 H23A 0.9700 . N C23 H23B 0.9700 . N C24 C25 1.523(8) . Y C24 H24A 0.9700 . N C24 H24B 0.9700 . N C25 C26 1.374(8) . Y C25 Rh1 2.209(5) . Y C25 H25 0.9300 . N C26 C27 1.509(7) . Y C26 Rh1 2.195(5) . Y C26 H26 0.9300 . N C27 C28 1.552(9) . Y C27 H27A 0.9700 . N C27 H27B 0.9700 . N C28 H28A 0.9700 . N C28 H28B 0.9700 . N Cl1 Rh1 2.3937(13) . Y 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 N2 C1 N1 103.9(4) . . Y N2 C1 Rh1 126.5(3) . . Y N1 C1 Rh1 129.1(3) . . Y C3 C2 N1 116.1(5) . . Y C3 C2 C8 122.8(4) . . Y N1 C2 C8 119.3(4) . . Y C2 C3 C4 122.3(5) . . Y C2 C3 H3 118.8 . . N C4 C3 H3 118.8 . . N C5 C4 C3 120.8(5) . . Y C5 C4 H4 119.6 . . N C3 C4 H4 119.6 . . N C4 C5 C6 116.4(5) . . Y C4 C5 C17 123.1(5) . . Y C6 C5 C17 119.6(5) . . Y C7 C6 N1 105.7(4) . . Y C7 C6 C5 133.9(5) . . Y N1 C6 C5 120.2(4) . . Y C6 C7 N2 106.8(4) . . Y C6 C7 H7 126.6 . . N N2 C7 H7 126.6 . . N C2 C8 C9 113.4(4) . . Y C2 C8 H8A 108.9 . . N C9 C8 H8A 108.9 . . N C2 C8 H8B 108.9 . . N C9 C8 H8B 108.9 . . N H8A C8 H8B 107.7 . . N C10 C9 C8 112.1(4) . . Y C10 C9 H9A 109.2 . . N C8 C9 H9A 109.2 . . N C10 C9 H9B 109.2 . . N C8 C9 H9B 109.2 . . N H9A C9 H9B 107.9 . . N C11 C10 C15 117.2(5) . . Y C11 C10 C9 121.7(5) . . Y C15 C10 C9 120.1(5) . . Y C12 C11 C10 121.5(5) . . Y C12 C11 H11 119.2 . . N C10 C11 H11 119.2 . . N C11 C12 C13 120.3(5) . . Y C11 C12 H12 119.8 . . N C13 C12 H12 119.8 . . N C14 C13 C12 116.9(5) . . Y C14 C13 C16 120.1(5) . . Y C12 C13 C16 121.0(5) . . Y C15 C14 C13 121.3(5) . . Y C15 C14 H14 119.3 . . N C13 C14 H14 119.3 . . N C14 C15 C10 120.5(5) . . Y C14 C15 H15 119.8 . . N C10 C15 H15 119.8 . . N C13 C16 C17 111.9(4) . . Y C13 C16 H16A 109.2 . . N C17 C16 H16A 109.2 . . N C13 C16 H16B 109.2 . . N C17 C16 H16B 109.2 . . N H16A C16 H16B 107.9 . . N C5 C17 C16 113.0(4) . . Y C5 C17 H17A 109.0 . . N C16 C17 H17A 109.0 . . N C5 C17 H17B 109.0 . . N C16 C17 H17B 109.0 . . N H17A C17 H17B 107.8 . . N N2 C18 H18A 109.5 . . N N2 C18 H18B 109.5 . . N H18A C18 H18B 109.5 . . N N2 C18 H18C 109.5 . . N H18A C18 H18C 109.5 . . N H18B C18 H18C 109.5 . . N C22 C21 C28 123.4(4) . . Y C22 C21 Rh1 69.4(3) . . Y C28 C21 Rh1 113.3(4) . . Y C22 C21 H21 118.3 . . N C28 C21 H21 118.3 . . N Rh1 C21 H21 87.4 . . N C21 C22 C23 125.0(5) . . Y C21 C22 Rh1 71.7(3) . . Y C23 C22 Rh1 109.8(4) . . Y C21 C22 H22 117.5 . . N C23 C22 H22 117.5 . . N Rh1 C22 H22 88.4 . . N C22 C23 C24 113.7(4) . . Y C22 C23 H23A 108.8 . . N C24 C23 H23A 108.8 . . N C22 C23 H23B 108.8 . . N C24 C23 H23B 108.8 . . N H23A C23 H23B 107.7 . . N C25 C24 C23 112.1(4) . . Y C25 C24 H24A 109.2 . . N C23 C24 H24A 109.2 . . N C25 C24 H24B 109.2 . . N C23 C24 H24B 109.2 . . N H24A C24 H24B 107.9 . . N C26 C25 C24 125.0(5) . . Y C26 C25 Rh1 71.3(3) . . Y C24 C25 Rh1 110.8(4) . . Y C26 C25 H25 117.5 . . N C24 C25 H25 117.5 . . N Rh1 C25 H25 87.9 . . N C25 C26 C27 126.1(5) . . Y C25 C26 Rh1 72.4(3) . . Y C27 C26 Rh1 108.7(4) . . Y C25 C26 H26 116.9 . . N C27 C26 H26 116.9 . . N Rh1 C26 H26 88.8 . . N C26 C27 C28 112.1(4) . . Y C26 C27 H27A 109.2 . . N C28 C27 H27A 109.2 . . N C26 C27 H27B 109.2 . . N C28 C27 H27B 109.2 . . N H27A C27 H27B 107.9 . . N C21 C28 C27 112.1(4) . . Y C21 C28 H28A 109.2 . . N C27 C28 H28A 109.2 . . N C21 C28 H28B 109.2 . . N C27 C28 H28B 109.2 . . N H28A C28 H28B 107.9 . . N C1 N1 C2 128.0(4) . . Y C1 N1 C6 110.9(4) . . Y C2 N1 C6 120.9(4) . . Y C1 N2 C7 112.7(4) . . Y C1 N2 C18 123.9(4) . . Y C7 N2 C18 123.3(4) . . Y C1 Rh1 C22 88.7(2) . . Y C1 Rh1 C21 91.55(19) . . Y C22 Rh1 C21 38.9(2) . . Y C1 Rh1 C26 158.5(2) . . Y C22 Rh1 C26 98.2(2) . . Y C21 Rh1 C26 81.6(2) . . Y C1 Rh1 C25 164.7(2) . . Y C22 Rh1 C25 82.3(2) . . Y C21 Rh1 C25 89.2(2) . . Y C26 Rh1 C25 36.4(2) . . Y C1 Rh1 Cl1 91.22(14) . . Y C22 Rh1 Cl1 149.28(15) . . Y C21 Rh1 Cl1 171.48(15) . . Y C26 Rh1 Cl1 92.94(15) . . Y C25 Rh1 Cl1 90.23(16) . . Y _diffrn_measured_fraction_theta_max 0.999 _diffrn_reflns_theta_full 27.50 _diffrn_measured_fraction_theta_full 0.999 _refine_diff_density_max 1.216 _refine_diff_density_min -1.617 _refine_diff_density_rms 0.336