############################################################################ # # # # # ### # # ### ### # ### # # ### # # ### # ### # # # # # # # # # # # # # ## ## # ## # # # # # # # # # # ### # # ### ### # ### # # # ### # ## # ### ### # # # # # # # # # # # # # # # # # # ## # # # ### ### # # ### ### # # ### # # # # # # # # # # # # # # # # # ### ### ### # # # # # ## ## # # # # # # # # # # # # # # # ### # ### ### # ### # # # # # # # # # ## # # # # # # # # # # # ### # # # # # ### # # # # # ############################################################################ ############################################################################ # # # 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_5893 ############################################################################ # # _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 2007-07-04 _audit_block_code 'AVM-AA-393-01' _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_compound_source 'CH2Cl2/AcOEt' _chemical_formula_moiety 'C26 H26 Cl F4 N2 Rh' _chemical_formula_sum 'C26 H26 Cl F4 N2 Rh' _chemical_formula_weight 580.85 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' 'F' 'F' 0.0171 0.0103 '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 orthorhombic _symmetry_space_group_name_H-M 'P212121' _symmetry_space_group_name_Hall 'P 2ac 2ab ' _symmetry_Int_Tables_number 19 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 7.26680(10) _cell_length_b 13.4135(3) _cell_length_c 23.4946(4) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 2290.09(7) _cell_formula_units_Z 4 _cell_measurement_temperature 100 _cell_measurement_reflns_used 126764 _cell_measurement_theta_min 2.91 _cell_measurement_theta_max 31.51 _exptl_crystal_description block _exptl_crystal_colour colorless _exptl_crystal_size_max 0.28 _exptl_crystal_size_mid 0.16 _exptl_crystal_size_min 0.02 _exptl_crystal_density_meas none _exptl_crystal_density_diffrn 1.685 _exptl_crystal_density_method none _exptl_crystal_F_000 1176 _exptl_absorpt_coefficient_mu 0.913 _exptl_absorpt_correction_type 'multi-scan' _exptl_absorpt_process_details 'SADABS, Bruker AXS (2004)' _exptl_absorpt_correction_T_min 0.40 _exptl_absorpt_correction_T_max 0.75 _diffrn_ambient_temperature 100 _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_standards_source '0.3 mm focus rotating anode' _diffrn_standards_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 52228 _diffrn_reflns_av_R_equivalents 0.0409 _diffrn_reflns_av_sigmaI/netI 0.0259 _diffrn_reflns_limit_h_min -10 _diffrn_reflns_limit_h_max 10 _diffrn_reflns_limit_k_min -19 _diffrn_reflns_limit_k_max 19 _diffrn_reflns_limit_l_min -34 _diffrn_reflns_limit_l_max 34 _diffrn_reflns_theta_min 2.93 _diffrn_reflns_theta_max 31.51 _reflns_number_total 7625 _reflns_number_gt 7339 _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^)+(0.0455P)^2^+0.3733P] 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_abs_structure_details 'Flack, H. D. (1983). Acta Cryst. A39, 876-881' _refine_ls_abs_structure_Flack 0.356(18) _chemical_absolute_configuration rm _refine_ls_number_reflns 7625 _refine_ls_number_parameters 308 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0266 _refine_ls_R_factor_gt 0.0244 _refine_ls_wR_factor_ref 0.0739 _refine_ls_wR_factor_gt 0.0727 _refine_ls_goodness_of_fit_ref 1.166 _refine_ls_restrained_S_all 1.166 _refine_ls_shift/su_max 0.002 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group C1 C 0.2439(3) 0.88843(14) 0.20296(8) 0.0117(3) Uani 1 1 d . . . C2 C 0.3449(3) 0.77257(15) 0.26698(9) 0.0135(4) Uani 1 1 d . . . H2 H 0.4209 0.7257 0.2843 0.016 Uiso 1 1 calc R . . C3 C 0.1761(3) 0.80417(14) 0.28606(9) 0.0122(3) Uani 1 1 d . . . C4 C 0.0563(3) 0.77521(14) 0.33146(9) 0.0133(4) Uani 1 1 d . . . C5 C -0.1220(3) 0.80658(15) 0.32767(9) 0.0148(4) Uani 1 1 d . . . H5 H -0.2121 0.7759 0.3497 0.018 Uiso 1 1 calc R . . C6 C -0.1717(3) 0.88668(15) 0.28994(9) 0.0139(4) Uani 1 1 d . . . H6 H -0.2922 0.9100 0.2902 0.017 Uiso 1 1 calc R . . C7 C -0.0485(3) 0.92936(15) 0.25403(8) 0.0124(4) Uani 1 1 d . . . C8 C -0.0584(3) 1.03665(16) 0.23544(8) 0.0145(4) Uani 1 1 d . . . H8A H -0.1844 1.0598 0.2388 0.017 Uiso 1 1 calc R . . H8B H -0.0231 1.0413 0.1957 0.017 Uiso 1 1 calc R . . C9 C 0.0716(3) 1.10661(15) 0.27219(9) 0.0167(4) Uani 1 1 d . . . H9A H 0.1827 1.1208 0.2507 0.020 Uiso 1 1 calc R . . H9B H 0.0093 1.1694 0.2792 0.020 Uiso 1 1 calc R . . C10 C 0.1236(3) 1.05957(14) 0.32857(9) 0.0143(4) Uani 1 1 d . . . C11 C -0.0095(3) 1.03532(15) 0.36892(9) 0.0154(4) Uani 1 1 d . . . C12 C 0.0186(3) 0.96014(17) 0.40832(9) 0.0162(4) Uani 1 1 d . . . C13 C 0.2966(3) 1.01742(15) 0.33783(9) 0.0147(4) Uani 1 1 d . . . C14 C 0.3248(3) 0.94344(15) 0.37794(9) 0.0154(3) Uani 1 1 d . . . C15 C 0.1814(3) 0.90606(16) 0.41095(8) 0.0157(4) Uani 1 1 d . . . C16 C 0.1840(4) 0.80030(17) 0.43291(9) 0.0208(4) Uani 1 1 d . . . H16A H 0.0946 0.7932 0.4633 0.025 Uiso 1 1 calc R . . H16B H 0.3047 0.7851 0.4482 0.025 Uiso 1 1 calc R . . C17 C 0.1368(3) 0.72476(15) 0.38317(9) 0.0175(4) Uani 1 1 d . . . H17A H 0.2481 0.6898 0.3722 0.021 Uiso 1 1 calc R . . H17B H 0.0499 0.6757 0.3972 0.021 Uiso 1 1 calc R . . C18 C 0.5392(3) 0.80398(17) 0.18067(9) 0.0175(4) Uani 1 1 d . . . H18A H 0.5045 0.7586 0.1510 0.026 Uiso 1 1 calc R . . H18B H 0.6361 0.7750 0.2030 0.026 Uiso 1 1 calc R . . H18C H 0.5815 0.8653 0.1641 0.026 Uiso 1 1 calc R . . C21 C -0.0237(3) 0.88632(15) 0.10842(9) 0.0149(4) Uani 1 1 d . . . H21 H -0.0490 0.8906 0.1471 0.018 Uiso 1 1 calc R . . C22 C 0.1201(3) 0.82260(15) 0.09144(9) 0.0148(4) Uani 1 1 d . . . H22 H 0.1850 0.7887 0.1195 0.018 Uiso 1 1 calc R . . C23 C 0.1752(3) 0.80599(16) 0.02969(10) 0.0178(4) Uani 1 1 d . . . H23A H 0.0686 0.8160 0.0055 0.021 Uiso 1 1 calc R . . H23B H 0.2159 0.7376 0.0250 0.021 Uiso 1 1 calc R . . C24 C 0.3292(3) 0.87651(17) 0.01076(10) 0.0191(4) Uani 1 1 d . . . H24A H 0.4469 0.8464 0.0200 0.023 Uiso 1 1 calc R . . H24B H 0.3234 0.8842 -0.0303 0.023 Uiso 1 1 calc R . . C25 C 0.3195(3) 0.97821(15) 0.03796(8) 0.0140(4) Uani 1 1 d . . . H25 H 0.4295 1.0052 0.0511 0.017 Uiso 1 1 calc R . . C26 C 0.1628(3) 1.03514(16) 0.04529(8) 0.0141(4) Uani 1 1 d . . . H26 H 0.1744 1.0951 0.0648 0.017 Uiso 1 1 calc R . . C27 C -0.0260(3) 1.00674(17) 0.02383(9) 0.0181(4) Uani 1 1 d . . . H27A H -0.0127 0.9661 -0.0101 0.022 Uiso 1 1 calc R . . H27B H -0.0921 1.0668 0.0133 0.022 Uiso 1 1 calc R . . C28 C -0.1403(3) 0.94856(18) 0.06845(10) 0.0182(4) Uani 1 1 d . . . H28A H -0.2118 0.9956 0.0907 0.022 Uiso 1 1 calc R . . H28B H -0.2260 0.9051 0.0487 0.022 Uiso 1 1 calc R . . N1 N 0.3802(2) 0.82386(13) 0.21707(8) 0.0124(3) Uani 1 1 d . . . N2 N 0.1174(2) 0.87727(12) 0.24608(7) 0.0109(3) Uani 1 1 d . . . F1 F -0.1791(2) 1.07536(10) 0.36415(6) 0.0213(3) Uani 1 1 d . . . F2 F -0.1261(2) 0.93122(11) 0.44038(6) 0.0236(3) Uani 1 1 d . . . F3 F 0.43637(18) 1.03939(11) 0.30210(6) 0.0206(3) Uani 1 1 d . . . F4 F 0.48869(19) 0.89665(10) 0.37907(6) 0.0215(3) Uani 1 1 d . . . Cl1 Cl 0.43757(8) 1.08224(4) 0.15524(2) 0.01789(10) Uani 1 1 d . . . Rh1 Rh 0.229327(19) 0.956668(10) 0.125828(6) 0.00961(4) 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 0.0116(9) 0.0109(7) 0.0125(7) -0.0009(6) -0.0005(7) -0.0001(7) C2 0.0143(9) 0.0133(8) 0.0129(8) 0.0025(7) 0.0000(7) 0.0018(7) C3 0.0136(9) 0.0108(8) 0.0123(8) 0.0018(6) -0.0012(7) -0.0002(7) C4 0.0170(9) 0.0101(8) 0.0128(8) -0.0002(7) 0.0018(7) -0.0016(7) C5 0.0157(9) 0.0149(8) 0.0138(9) -0.0010(7) 0.0041(7) -0.0034(7) C6 0.0119(8) 0.0150(8) 0.0147(8) -0.0023(7) -0.0007(7) -0.0008(7) C7 0.0106(9) 0.0139(8) 0.0127(8) -0.0016(6) -0.0020(7) 0.0010(6) C8 0.0146(9) 0.0158(9) 0.0131(8) 0.0002(7) -0.0016(7) 0.0046(8) C9 0.0213(10) 0.0119(8) 0.0168(9) 0.0012(7) -0.0027(8) 0.0006(7) C10 0.0172(9) 0.0120(9) 0.0137(8) -0.0023(7) -0.0022(7) -0.0004(7) C11 0.0138(8) 0.0156(9) 0.0167(9) -0.0047(8) -0.0009(7) 0.0032(7) C12 0.0172(9) 0.0195(9) 0.0121(8) -0.0023(8) 0.0015(7) -0.0017(9) C13 0.0154(10) 0.0156(8) 0.0131(8) -0.0015(7) -0.0005(7) -0.0025(7) C14 0.0135(8) 0.0190(9) 0.0137(8) -0.0025(8) -0.0033(7) 0.0012(7) C15 0.0200(10) 0.0171(9) 0.0101(8) -0.0007(7) -0.0033(7) -0.0002(8) C16 0.0290(12) 0.0198(9) 0.0136(9) 0.0043(8) -0.0025(8) 0.0011(9) C17 0.0217(10) 0.0147(8) 0.0161(10) 0.0052(7) 0.0041(8) 0.0012(7) C18 0.0115(9) 0.0230(10) 0.0178(10) 0.0026(8) 0.0020(8) 0.0035(8) C21 0.0121(9) 0.0181(9) 0.0145(8) -0.0018(7) 0.0003(7) -0.0042(7) C22 0.0153(9) 0.0119(8) 0.0171(9) 0.0003(7) -0.0001(8) -0.0032(7) C23 0.0190(10) 0.0143(9) 0.0201(10) -0.0067(7) -0.0003(8) -0.0015(8) C24 0.0205(10) 0.0164(9) 0.0203(10) -0.0047(8) 0.0068(8) -0.0014(8) C25 0.0166(9) 0.0145(8) 0.0110(8) -0.0014(7) 0.0014(7) -0.0002(7) C26 0.0186(9) 0.0148(9) 0.0088(7) 0.0010(7) 0.0000(7) 0.0014(8) C27 0.0178(10) 0.0226(10) 0.0139(9) -0.0014(7) -0.0052(8) 0.0043(8) C28 0.0116(9) 0.0224(10) 0.0207(10) -0.0055(8) -0.0033(7) -0.0002(8) N1 0.0091(7) 0.0148(7) 0.0134(7) 0.0012(6) -0.0004(6) 0.0008(6) N2 0.0099(7) 0.0113(7) 0.0115(7) 0.0013(6) 0.0005(6) 0.0004(6) F1 0.0169(6) 0.0217(6) 0.0253(7) -0.0045(5) -0.0004(5) 0.0072(5) F2 0.0198(7) 0.0329(8) 0.0181(6) 0.0006(5) 0.0065(5) -0.0027(6) F3 0.0158(6) 0.0265(6) 0.0194(6) 0.0024(6) 0.0027(5) -0.0022(6) F4 0.0160(6) 0.0276(7) 0.0210(6) 0.0015(6) -0.0042(6) 0.0068(5) Cl1 0.0177(2) 0.0184(2) 0.0176(2) -0.00360(19) 0.00061(18) -0.00803(19) Rh1 0.00898(6) 0.01020(6) 0.00964(6) 0.00020(5) -0.00001(5) -0.00132(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 C1 N1 1.357(3) . Y C1 N2 1.376(3) . Y C1 Rh1 2.0329(19) . Y C2 C3 1.373(3) . Y C2 N1 1.383(3) . Y C2 H2 0.9300 . N C3 N2 1.423(3) . Y C3 C4 1.431(3) . Y C4 C5 1.365(3) . Y C4 C17 1.509(3) . Y C5 C6 1.439(3) . Y C5 H5 0.9300 . N C6 C7 1.357(3) . Y C6 H6 0.9300 . N C7 N2 1.406(3) . Y C7 C8 1.506(3) . Y C8 C9 1.587(3) . Y C8 H8A 0.9700 . N C8 H8B 0.9700 . N C9 C10 1.515(3) . Y C9 H9A 0.9700 . N C9 H9B 0.9700 . N C10 C11 1.392(3) . Y C10 C13 1.396(3) . Y C11 F1 1.349(2) . Y C11 C12 1.384(3) . Y C12 F2 1.350(2) . Y C12 C15 1.389(3) . Y C13 F3 1.350(2) . Y C13 C14 1.384(3) . Y C14 F4 1.346(2) . Y C14 C15 1.393(3) . Y C15 C16 1.510(3) . Y C16 C17 1.584(3) . Y C16 H16A 0.9700 . N C16 H16B 0.9700 . N C17 H17A 0.9700 . N C17 H17B 0.9700 . N C18 N1 1.462(3) . Y C18 H18A 0.9600 . N C18 H18B 0.9600 . N C18 H18C 0.9600 . N C21 C22 1.408(3) . Y C21 C28 1.516(3) . Y C21 Rh1 2.106(2) . Y C21 H21 0.9300 . N C22 C23 1.521(3) . Y C22 Rh1 2.125(2) . Y C22 H22 0.9300 . N C23 C24 1.531(3) . Y C23 H23A 0.9700 . N C23 H23B 0.9700 . N C24 C25 1.508(3) . Y C24 H24A 0.9700 . N C24 H24B 0.9700 . N C25 C26 1.382(3) . Y C25 Rh1 2.185(2) . Y C25 H25 0.9300 . N C26 C27 1.510(3) . Y C26 Rh1 2.2186(19) . Y C26 H26 0.9300 . N C27 C28 1.549(3) . Y C27 H27A 0.9700 . N C27 H27B 0.9700 . N C28 H28A 0.9700 . N C28 H28B 0.9700 . N Cl1 Rh1 2.3674(5) . 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 N1 C1 N2 103.77(16) . . Y N1 C1 Rh1 122.91(15) . . Y N2 C1 Rh1 132.11(15) . . Y C3 C2 N1 106.79(17) . . Y C3 C2 H2 126.6 . . N N1 C2 H2 126.6 . . N C2 C3 N2 105.35(17) . . Y C2 C3 C4 134.69(19) . . Y N2 C3 C4 119.80(18) . . Y C5 C4 C3 116.44(19) . . Y C5 C4 C17 123.97(19) . . Y C3 C4 C17 119.10(19) . . Y C4 C5 C6 120.56(19) . . Y C4 C5 H5 119.7 . . N C6 C5 H5 119.7 . . N C7 C6 C5 122.2(2) . . Y C7 C6 H6 118.9 . . N C5 C6 H6 118.9 . . N C6 C7 N2 116.03(18) . . Y C6 C7 C8 123.51(19) . . Y N2 C7 C8 118.52(17) . . Y C7 C8 C9 112.25(16) . . Y C7 C8 H8A 109.2 . . N C9 C8 H8A 109.2 . . N C7 C8 H8B 109.2 . . N C9 C8 H8B 109.2 . . N H8A C8 H8B 107.9 . . N C10 C9 C8 112.19(17) . . 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 C13 115.13(18) . . Y C11 C10 C9 121.3(2) . . Y C13 C10 C9 121.96(19) . . Y F1 C11 C12 118.70(18) . . Y F1 C11 C10 118.99(18) . . Y C12 C11 C10 121.55(19) . . Y F2 C12 C11 117.89(19) . . Y F2 C12 C15 119.22(19) . . Y C11 C12 C15 122.40(19) . . Y F3 C13 C14 118.0(2) . . Y F3 C13 C10 119.49(18) . . Y C14 C13 C10 122.0(2) . . Y F4 C14 C13 118.59(19) . . Y F4 C14 C15 118.90(19) . . Y C13 C14 C15 121.78(19) . . Y C14 C15 C12 115.13(19) . . Y C14 C15 C16 121.3(2) . . Y C12 C15 C16 121.1(2) . . Y C15 C16 C17 110.26(17) . . Y C15 C16 H16A 109.6 . . N C17 C16 H16A 109.6 . . N C15 C16 H16B 109.6 . . N C17 C16 H16B 109.6 . . N H16A C16 H16B 108.1 . . N C4 C17 C16 113.02(17) . . Y C4 C17 H17A 109.0 . . N C16 C17 H17A 109.0 . . N C4 C17 H17B 109.0 . . N C16 C17 H17B 109.0 . . N H17A C17 H17B 107.8 . . N N1 C18 H18A 109.5 . . N N1 C18 H18B 109.5 . . N H18A C18 H18B 109.5 . . N N1 C18 H18C 109.5 . . N H18A C18 H18C 109.5 . . N H18B C18 H18C 109.5 . . N C22 C21 C28 125.03(19) . . Y C22 C21 Rh1 71.30(12) . . Y C28 C21 Rh1 111.21(14) . . Y C22 C21 H21 117.5 . . N C28 C21 H21 117.5 . . N Rh1 C21 H21 87.4 . . N C21 C22 C23 123.7(2) . . Y C21 C22 Rh1 69.85(11) . . Y C23 C22 Rh1 112.83(14) . . Y C21 C22 H22 118.2 . . N C23 C22 H22 118.2 . . N Rh1 C22 H22 87.4 . . N C22 C23 C24 112.27(18) . . Y C22 C23 H23A 109.2 . . N C24 C23 H23A 109.2 . . N C22 C23 H23B 109.2 . . N C24 C23 H23B 109.2 . . N H23A C23 H23B 107.9 . . N C25 C24 C23 113.67(18) . . Y C25 C24 H24A 108.8 . . N C23 C24 H24A 108.8 . . N C25 C24 H24B 108.8 . . N C23 C24 H24B 108.8 . . N H24A C24 H24B 107.7 . . N C26 C25 C24 126.2(2) . . Y C26 C25 Rh1 73.04(12) . . Y C24 C25 Rh1 107.15(14) . . Y C26 C25 H25 116.9 . . N C24 C25 H25 116.9 . . N Rh1 C25 H25 89.8 . . N C25 C26 C27 124.58(18) . . Y C25 C26 Rh1 70.39(12) . . Y C27 C26 Rh1 111.28(14) . . Y C25 C26 H26 117.7 . . N C27 C26 H26 117.7 . . N Rh1 C26 H26 88.3 . . N C26 C27 C28 112.87(17) . . Y C26 C27 H27A 109.0 . . N C28 C27 H27A 109.0 . . N C26 C27 H27B 109.0 . . N C28 C27 H27B 109.0 . . N H27A C27 H27B 107.8 . . N C21 C28 C27 113.37(18) . . Y C21 C28 H28A 108.9 . . N C27 C28 H28A 108.9 . . N C21 C28 H28B 108.9 . . N C27 C28 H28B 108.9 . . N H28A C28 H28B 107.7 . . N C1 N1 C2 112.91(17) . . Y C1 N1 C18 123.39(18) . . Y C2 N1 C18 123.47(17) . . Y C1 N2 C7 128.06(17) . . Y C1 N2 C3 111.16(16) . . Y C7 N2 C3 120.76(17) . . Y C1 Rh1 C21 90.96(8) . . Y C1 Rh1 C22 88.70(8) . . Y C21 Rh1 C22 38.85(8) . . Y C1 Rh1 C25 152.38(8) . . Y C21 Rh1 C25 97.91(8) . . Y C22 Rh1 C25 82.23(8) . . Y C1 Rh1 C26 170.14(8) . . Y C21 Rh1 C26 81.77(8) . . Y C22 Rh1 C26 89.76(8) . . Y C25 Rh1 C26 36.56(8) . . Y C1 Rh1 Cl1 91.54(6) . . Y C21 Rh1 Cl1 158.94(6) . . Y C22 Rh1 Cl1 162.12(6) . . Y C25 Rh1 Cl1 89.43(6) . . Y C26 Rh1 Cl1 92.91(6) . . Y _diffrn_measured_fraction_theta_max 0.998 _diffrn_reflns_theta_full 31.51 _diffrn_measured_fraction_theta_full 0.998 _refine_diff_density_max 0.569 _refine_diff_density_min -1.201 _refine_diff_density_rms 0.264