# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_39
_database_code_depnum_ccdc_archive 'CCDC 1414525'
_audit_update_record             
;
2015-11-03 deposited with the CCDC.
2015-11-26 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C38 H46 Cl N2 Rh'
_chemical_formula_sum            'C38 H46 Cl N2 Rh'
_chemical_formula_weight         669.13

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
Cl Cl 0.1484 0.1585 '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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   C2/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   23.2672(6)
_cell_length_b                   14.4735(2)
_cell_length_c                   22.2443(7)
_cell_angle_alpha                90.00
_cell_angle_beta                 114.7300(10)
_cell_angle_gamma                90.00
_cell_volume                     6803.9(3)
_cell_formula_units_Z            8
_cell_measurement_temperature    295
_cell_measurement_reflns_used    27353
_cell_measurement_theta_min      3.22
_cell_measurement_theta_max      30.00

_exptl_crystal_description       needle
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.306
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2800
_exptl_absorpt_coefficient_mu    0.608
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.915
_exptl_absorpt_correction_T_max  0.950
_exptl_absorpt_process_details   'SORTAV (Blessing, Acta Cryst., 1995, A51, 33)'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      295
_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  'Nonius Kappa CCD'
_diffrn_measurement_method       'φ scans and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            27353
_diffrn_reflns_av_R_equivalents  0.0500
_diffrn_reflns_av_sigmaI/netI    0.0510
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         3.22
_diffrn_reflns_theta_max         30.01
_reflns_number_total             9786
_reflns_number_gt                6641
_reflns_threshold_expression     I>2sigma(I)

_computing_data_collection       'COLLECT (Nonius, 1998)'
_computing_cell_refinement       'Denzo-SMN (Otwinowski & Minor, 1997)'
_computing_data_reduction        'Denzo-SMN (Otwinowski & Minor, 1997)'
_computing_structure_solution    'SIR97 (Altomare et al., 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'ORTEPIII (Burnett & Johnson, 1996)'
_computing_publication_material  
'SHELXL-97 (Sheldrick, 1997), PARST (Nardelli, 1995)'

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² 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/[σ²(Fo²)+(0.0601P)²+8.5793P] where P=(Fo²+2Fc²)/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_extinction_coef       ?
_refine_ls_number_reflns         9786
_refine_ls_number_parameters     381
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0823
_refine_ls_R_factor_gt           0.0501
_refine_ls_wR_factor_ref         0.1393
_refine_ls_wR_factor_gt          0.1236
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_restrained_S_all      1.042
_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 0.161708(10) 0.149934(16) 0.665739(12) 0.04886(9) Uani 1 1 d . . .
Cl1 Cl 0.20754(5) 0.28232(5) 0.73222(5) 0.0692(2) Uani 1 1 d . . .
C1 C 0.24094(11) 0.08240(16) 0.72528(13) 0.0381(5) Uani 1 1 d . . .
N1 N 0.29252(10) 0.06555(14) 0.71428(11) 0.0389(4) Uani 1 1 d . . .
C2 C 0.34692(12) 0.03052(18) 0.77382(13) 0.0410(5) Uani 1 1 d . . .
H2 H 0.3584 -0.0309 0.7639 0.049 Uiso 1 1 calc R . .
C3 C 0.31705(13) 0.01978(18) 0.82469(13) 0.0401(5) Uani 1 1 d . . .
H3 H 0.3134 -0.0463 0.8320 0.048 Uiso 1 1 calc R . .
N2 N 0.25250(10) 0.05699(14) 0.78708(11) 0.0410(5) Uani 1 1 d . . .
C4 C 0.1387(2) 0.0596(4) 0.5866(2) 0.1036(17) Uani 1 1 d . . .
H4 H 0.1814 0.0454 0.6005 0.124 Uiso 1 1 calc R . .
C5 C 0.10972(18) 0.0278(3) 0.6265(2) 0.0873(13) Uani 1 1 d . . .
H5 H 0.1343 -0.0025 0.6658 0.105 Uiso 1 1 calc R . .
C6 C 0.0393(2) 0.0410(5) 0.6080(3) 0.123(2) Uani 1 1 d . . .
H6A H 0.0164 0.0327 0.5606 0.148 Uiso 1 1 calc R . .
H6B H 0.0255 -0.0070 0.6294 0.148 Uiso 1 1 calc R . .
C7 C 0.0219(2) 0.1309(5) 0.6259(4) 0.131(2) Uani 1 1 d . . .
H7A H 0.0177 0.1239 0.6673 0.157 Uiso 1 1 calc R . .
H7B H -0.0193 0.1480 0.5923 0.157 Uiso 1 1 calc R . .
C8 C 0.06671(18) 0.2085(4) 0.6335(3) 0.1020(16) Uani 1 1 d . . .
H8 H 0.0809 0.2407 0.6733 0.122 Uiso 1 1 calc R . .
C9 C 0.0891(2) 0.2377(4) 0.5902(3) 0.1112(19) Uani 1 1 d . . .
H9 H 0.1186 0.2854 0.6025 0.133 Uiso 1 1 calc R . .
C10 C 0.0685(4) 0.1968(7) 0.5244(4) 0.167(3) Uani 1 1 d . . .
H10A H 0.0695 0.2443 0.4941 0.201 Uiso 1 1 calc R . .
H10B H 0.0249 0.1770 0.5096 0.201 Uiso 1 1 calc R . .
C11 C 0.1067(3) 0.1172(6) 0.5201(3) 0.144(3) Uani 1 1 d . . .
H11A H 0.1395 0.1398 0.5078 0.172 Uiso 1 1 calc R . .
H11B H 0.0796 0.0764 0.4852 0.172 Uiso 1 1 calc R . .
C12 C 0.29817(11) 0.08704(18) 0.65379(13) 0.0404(5) Uani 1 1 d . . .
C13 C 0.30697(12) 0.01690(18) 0.61543(14) 0.0437(6) Uani 1 1 d . . .
C14 C 0.31370(14) 0.0437(2) 0.55814(16) 0.0542(7) Uani 1 1 d . . .
H14 H 0.3203 -0.0014 0.5320 0.065 Uiso 1 1 calc R . .
C15 C 0.31081(16) 0.1346(2) 0.53953(17) 0.0615(8) Uani 1 1 d . . .
H15 H 0.3158 0.1505 0.5015 0.074 Uiso 1 1 calc R . .
C16 C 0.30046(15) 0.2021(2) 0.57740(17) 0.0596(8) Uani 1 1 d . . .
H16 H 0.2976 0.2636 0.5644 0.072 Uiso 1 1 calc R . .
C17 C 0.29437(14) 0.1790(2) 0.63449(16) 0.0512(7) Uani 1 1 d . . .
H17 H 0.2877 0.2249 0.6601 0.061 Uiso 1 1 calc R . .
C18 C 0.30735(16) -0.0846(2) 0.63180(16) 0.0551(7) Uani 1 1 d . . .
H18 H 0.2930 -0.0904 0.6672 0.066 Uiso 1 1 calc R . .
C19 C 0.3740(2) -0.1258(3) 0.6570(2) 0.0793(11) Uani 1 1 d . . .
H19A H 0.3862 -0.1310 0.6209 0.119 Uiso 1 1 calc R . .
H19B H 0.3743 -0.1859 0.6754 0.119 Uiso 1 1 calc R . .
H19C H 0.4033 -0.0862 0.6904 0.119 Uiso 1 1 calc R . .
C20 C 0.2610(3) -0.1393(3) 0.5715(2) 0.0942(15) Uani 1 1 d . . .
H20A H 0.2195 -0.1129 0.5564 0.141 Uiso 1 1 calc R . .
H20B H 0.2598 -0.2026 0.5839 0.141 Uiso 1 1 calc R . .
H20C H 0.2750 -0.1366 0.5365 0.141 Uiso 1 1 calc R . .
C21 C 0.20045(14) 0.04324(19) 0.80708(17) 0.0510(7) Uani 1 1 d . . .
H21 H 0.1627 0.0651 0.7693 0.061 Uiso 1 1 calc R . .
C22 C 0.18780(18) -0.0583(2) 0.8132(2) 0.0773(12) Uani 1 1 d . . .
H22A H 0.2238 -0.0855 0.8494 0.093 Uiso 1 1 calc R . .
H22B H 0.1822 -0.0903 0.7728 0.093 Uiso 1 1 calc R . .
C23 C 0.1285(2) -0.0698(3) 0.8256(3) 0.113(2) Uani 1 1 d . . .
H23A H 0.0918 -0.0552 0.7852 0.135 Uiso 1 1 calc R . .
H23B H 0.1251 -0.1340 0.8362 0.135 Uiso 1 1 calc R . .
C24 C 0.1277(3) -0.0117(4) 0.8793(4) 0.128(2) Uani 1 1 d . . .
H24A H 0.1591 -0.0345 0.9211 0.153 Uiso 1 1 calc R . .
H24B H 0.0866 -0.0169 0.8804 0.153 Uiso 1 1 calc R . .
C25 C 0.1409(2) 0.0882(4) 0.8719(3) 0.0954(14) Uani 1 1 d . . .
H25A H 0.1438 0.1221 0.9107 0.114 Uiso 1 1 calc R . .
H25B H 0.1061 0.1139 0.8337 0.114 Uiso 1 1 calc R . .
C26 C 0.2030(2) 0.1000(3) 0.8634(2) 0.0830(12) Uani 1 1 d . . .
H26A H 0.2088 0.1644 0.8554 0.100 Uiso 1 1 calc R . .
H26B H 0.2385 0.0808 0.9036 0.100 Uiso 1 1 calc R . .
C27 C 0.40429(12) 0.0927(2) 0.79445(14) 0.0496(7) Uani 1 1 d . . .
C28 C 0.46395(15) 0.0530(3) 0.81746(17) 0.0729(10) Uani 1 1 d . . .
H28 H 0.4684 -0.0109 0.8192 0.087 Uiso 1 1 calc R . .
C29 C 0.51711(18) 0.1095(5) 0.8380(2) 0.110(2) Uani 1 1 d . . .
H29 H 0.5570 0.0830 0.8520 0.132 Uiso 1 1 calc R . .
C30 C 0.5113(2) 0.2038(5) 0.8377(2) 0.115(2) Uani 1 1 d . . .
H30 H 0.5472 0.2411 0.8532 0.138 Uiso 1 1 calc R . .
C31 C 0.4533(2) 0.2417(4) 0.8148(2) 0.1007(16) Uani 1 1 d . . .
H31 H 0.4492 0.3057 0.8136 0.121 Uiso 1 1 calc R . .
C32 C 0.39934(17) 0.1872(3) 0.79293(18) 0.0684(9) Uani 1 1 d . . .
H32 H 0.3596 0.2148 0.7772 0.082 Uiso 1 1 calc R . .
C33 C 0.35341(14) 0.0646(2) 0.89080(15) 0.0535(7) Uani 1 1 d . . .
C34 C 0.39521(17) 0.0123(4) 0.94170(18) 0.0785(11) Uani 1 1 d . . .
H34 H 0.3986 -0.0507 0.9356 0.094 Uiso 1 1 calc R . .
C35 C 0.4328(2) 0.0530(6) 1.0028(2) 0.1090(19) Uani 1 1 d . . .
H35 H 0.4610 0.0175 1.0375 0.131 Uiso 1 1 calc R . .
C36 C 0.4272(3) 0.1468(6) 1.0105(3) 0.125(3) Uani 1 1 d . . .
H36 H 0.4526 0.1750 1.0505 0.150 Uiso 1 1 calc R . .
C37 C 0.3854(3) 0.1982(5) 0.9609(3) 0.115(2) Uani 1 1 d . . .
H37 H 0.3816 0.2611 0.9672 0.138 Uiso 1 1 calc R . .
C38 C 0.34792(19) 0.1575(3) 0.9005(2) 0.0763(11) Uani 1 1 d . . .
H38 H 0.3190 0.1931 0.8666 0.092 Uiso 1 1 calc R . .


_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 2.016(3) . ?
Rh1 C4 2.076(4) . ?
Rh1 C5 2.113(4) . ?
Rh1 C8 2.189(4) . ?
Rh1 C9 2.217(4) . ?
Rh1 Cl1 2.3824(9) . ?
C1 N2 1.337(3) . ?
C1 N1 1.344(3) . ?
N1 C12 1.440(3) . ?
N1 C2 1.487(3) . ?
C2 C27 1.513(4) . ?
C2 C3 1.564(4) . ?
C2 H2 0.9800 . ?
C3 N2 1.481(3) . ?
C3 C33 1.503(4) . ?
C3 H3 0.9800 . ?
N2 C21 1.468(3) . ?
C4 C5 1.398(7) . ?
C4 C11 1.586(9) . ?
C4 H4 0.9300 . ?
C5 C6 1.525(6) . ?
C5 H5 0.9300 . ?
C6 C7 1.466(8) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C7 C8 1.494(7) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 C9 1.340(7) . ?
C8 H8 0.9300 . ?
C9 C10 1.462(9) . ?
C9 H9 0.9300 . ?
C10 C11 1.481(11) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 C17 1.390(4) . ?
C12 C13 1.395(4) . ?
C13 C14 1.402(4) . ?
C13 C18 1.513(4) . ?
C14 C15 1.372(5) . ?
C14 H14 0.9300 . ?
C15 C16 1.375(5) . ?
C15 H15 0.9300 . ?
C16 C17 1.377(5) . ?
C16 H16 0.9300 . ?
C17 H17 0.9300 . ?
C18 C19 1.531(5) . ?
C18 C20 1.543(5) . ?
C18 H18 0.9800 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 C26 1.479(5) . ?
C21 C22 1.516(4) . ?
C21 H21 0.9800 . ?
C22 C23 1.525(5) . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C23 C24 1.467(8) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C24 C25 1.502(7) . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C25 C26 1.543(5) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C26 H26A 0.9700 . ?
C26 H26B 0.9700 . ?
C27 C32 1.372(5) . ?
C27 C28 1.387(4) . ?
C28 C29 1.391(6) . ?
C28 H28 0.9300 . ?
C29 C30 1.371(9) . ?
C29 H29 0.9300 . ?
C30 C31 1.346(8) . ?
C30 H30 0.9300 . ?
C31 C32 1.387(5) . ?
C31 H31 0.9300 . ?
C32 H32 0.9300 . ?
C33 C34 1.371(5) . ?
C33 C38 1.375(5) . ?
C34 C35 1.402(7) . ?
C34 H34 0.9300 . ?
C35 C36 1.382(8) . ?
C35 H35 0.9300 . ?
C36 C37 1.348(9) . ?
C36 H36 0.9300 . ?
C37 C38 1.390(6) . ?
C37 H37 0.9300 . ?
C38 H38 0.9300 . ?

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 C4 95.27(17) . . ?
C1 Rh1 C5 94.24(14) . . ?
C4 Rh1 C5 38.99(18) . . ?
C1 Rh1 C8 157.43(17) . . ?
C4 Rh1 C8 95.7(2) . . ?
C5 Rh1 C8 82.16(19) . . ?
C1 Rh1 C9 166.65(16) . . ?
C4 Rh1 C9 82.8(2) . . ?
C5 Rh1 C9 92.5(2) . . ?
C8 Rh1 C9 35.40(18) . . ?
C1 Rh1 Cl1 86.18(7) . . ?
C4 Rh1 Cl1 157.34(15) . . ?
C5 Rh1 Cl1 163.60(14) . . ?
C8 Rh1 Cl1 91.16(16) . . ?
C9 Rh1 Cl1 90.61(17) . . ?
N2 C1 N1 109.1(2) . . ?
N2 C1 Rh1 122.96(17) . . ?
N1 C1 Rh1 127.5(2) . . ?
C1 N1 C12 124.7(2) . . ?
C1 N1 C2 113.1(2) . . ?
C12 N1 C2 121.98(19) . . ?
N1 C2 C27 112.4(2) . . ?
N1 C2 C3 102.00(19) . . ?
C27 C2 C3 116.3(2) . . ?
N1 C2 H2 108.6 . . ?
C27 C2 H2 108.6 . . ?
C3 C2 H2 108.6 . . ?
N2 C3 C33 114.7(2) . . ?
N2 C3 C2 102.0(2) . . ?
C33 C3 C2 115.2(2) . . ?
N2 C3 H3 108.2 . . ?
C33 C3 H3 108.2 . . ?
C2 C3 H3 108.2 . . ?
C1 N2 C21 120.8(2) . . ?
C1 N2 C3 113.6(2) . . ?
C21 N2 C3 123.3(2) . . ?
C5 C4 C11 126.9(4) . . ?
C5 C4 Rh1 72.0(2) . . ?
C11 C4 Rh1 108.2(4) . . ?
C5 C4 H4 116.6 . . ?
C11 C4 H4 116.6 . . ?
Rh1 C4 H4 89.8 . . ?
C4 C5 C6 122.5(5) . . ?
C4 C5 Rh1 69.1(2) . . ?
C6 C5 Rh1 111.8(4) . . ?
C4 C5 H5 118.8 . . ?
C6 C5 H5 118.8 . . ?
Rh1 C5 H5 89.2 . . ?
C7 C6 C5 115.2(4) . . ?
C7 C6 H6A 108.5 . . ?
C5 C6 H6A 108.5 . . ?
C7 C6 H6B 108.5 . . ?
C5 C6 H6B 108.5 . . ?
H6A C6 H6B 107.5 . . ?
C6 C7 C8 116.0(4) . . ?
C6 C7 H7A 108.3 . . ?
C8 C7 H7A 108.3 . . ?
C6 C7 H7B 108.3 . . ?
C8 C7 H7B 108.3 . . ?
H7A C7 H7B 107.4 . . ?
C9 C8 C7 128.3(6) . . ?
C9 C8 Rh1 73.4(3) . . ?
C7 C8 Rh1 107.9(3) . . ?
C9 C8 H8 115.9 . . ?
C7 C8 H8 115.9 . . ?
Rh1 C8 H8 88.6 . . ?
C8 C9 C10 121.9(6) . . ?
C8 C9 Rh1 71.2(2) . . ?
C10 C9 Rh1 110.7(5) . . ?
C8 C9 H9 119.0 . . ?
C10 C9 H9 119.0 . . ?
Rh1 C9 H9 88.2 . . ?
C9 C10 C11 115.1(6) . . ?
C9 C10 H10A 108.5 . . ?
C11 C10 H10A 108.5 . . ?
C9 C10 H10B 108.5 . . ?
C11 C10 H10B 108.5 . . ?
H10A C10 H10B 107.5 . . ?
C10 C11 C4 114.3(5) . . ?
C10 C11 H11A 108.7 . . ?
C4 C11 H11A 108.7 . . ?
C10 C11 H11B 108.7 . . ?
C4 C11 H11B 108.7 . . ?
H11A C11 H11B 107.6 . . ?
C17 C12 C13 121.0(3) . . ?
C17 C12 N1 118.5(2) . . ?
C13 C12 N1 120.6(2) . . ?
C12 C13 C14 117.1(3) . . ?
C12 C13 C18 123.2(2) . . ?
C14 C13 C18 119.7(3) . . ?
C15 C14 C13 122.0(3) . . ?
C15 C14 H14 119.0 . . ?
C13 C14 H14 119.0 . . ?
C14 C15 C16 119.7(3) . . ?
C14 C15 H15 120.2 . . ?
C16 C15 H15 120.2 . . ?
C17 C16 C15 120.3(3) . . ?
C17 C16 H16 119.8 . . ?
C15 C16 H16 119.8 . . ?
C16 C17 C12 120.0(3) . . ?
C16 C17 H17 120.0 . . ?
C12 C17 H17 120.0 . . ?
C13 C18 C19 111.6(3) . . ?
C13 C18 C20 110.9(3) . . ?
C19 C18 C20 110.5(3) . . ?
C13 C18 H18 107.9 . . ?
C19 C18 H18 107.9 . . ?
C20 C18 H18 107.9 . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C18 C20 H20A 109.5 . . ?
C18 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C18 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
N2 C21 C26 115.9(3) . . ?
N2 C21 C22 112.0(2) . . ?
C26 C21 C22 113.8(3) . . ?
N2 C21 H21 104.6 . . ?
C26 C21 H21 104.6 . . ?
C22 C21 H21 104.6 . . ?
C21 C22 C23 110.3(3) . . ?
C21 C22 H22A 109.6 . . ?
C23 C22 H22A 109.6 . . ?
C21 C22 H22B 109.6 . . ?
C23 C22 H22B 109.6 . . ?
H22A C22 H22B 108.1 . . ?
C24 C23 C22 114.0(4) . . ?
C24 C23 H23A 108.8 . . ?
C22 C23 H23A 108.8 . . ?
C24 C23 H23B 108.8 . . ?
C22 C23 H23B 108.8 . . ?
H23A C23 H23B 107.7 . . ?
C23 C24 C25 113.0(4) . . ?
C23 C24 H24A 109.0 . . ?
C25 C24 H24A 109.0 . . ?
C23 C24 H24B 109.0 . . ?
C25 C24 H24B 109.0 . . ?
H24A C24 H24B 107.8 . . ?
C24 C25 C26 111.4(4) . . ?
C24 C25 H25A 109.4 . . ?
C26 C25 H25A 109.4 . . ?
C24 C25 H25B 109.4 . . ?
C26 C25 H25B 109.4 . . ?
H25A C25 H25B 108.0 . . ?
C21 C26 C25 109.6(3) . . ?
C21 C26 H26A 109.8 . . ?
C25 C26 H26A 109.8 . . ?
C21 C26 H26B 109.8 . . ?
C25 C26 H26B 109.8 . . ?
H26A C26 H26B 108.2 . . ?
C32 C27 C28 118.8(3) . . ?
C32 C27 C2 122.1(3) . . ?
C28 C27 C2 119.1(3) . . ?
C27 C28 C29 119.5(5) . . ?
C27 C28 H28 120.2 . . ?
C29 C28 H28 120.2 . . ?
C30 C29 C28 120.8(4) . . ?
C30 C29 H29 119.6 . . ?
C28 C29 H29 119.6 . . ?
C31 C30 C29 119.3(4) . . ?
C31 C30 H30 120.4 . . ?
C29 C30 H30 120.4 . . ?
C30 C31 C32 121.2(5) . . ?
C30 C31 H31 119.4 . . ?
C32 C31 H31 119.4 . . ?
C27 C32 C31 120.3(4) . . ?
C27 C32 H32 119.8 . . ?
C31 C32 H32 119.8 . . ?
C34 C33 C38 119.3(4) . . ?
C34 C33 C3 119.0(3) . . ?
C38 C33 C3 121.6(3) . . ?
C33 C34 C35 120.6(5) . . ?
C33 C34 H34 119.7 . . ?
C35 C34 H34 119.7 . . ?
C36 C35 C34 118.7(5) . . ?
C36 C35 H35 120.7 . . ?
C34 C35 H35 120.7 . . ?
C37 C36 C35 120.9(5) . . ?
C37 C36 H36 119.5 . . ?
C35 C36 H36 119.5 . . ?
C36 C37 C38 120.2(6) . . ?
C36 C37 H37 119.9 . . ?
C38 C37 H37 119.9 . . ?
C33 C38 C37 120.3(5) . . ?
C33 C38 H38 119.8 . . ?
C37 C38 H38 119.8 . . ?

_diffrn_measured_fraction_theta_max 0.984
_diffrn_reflns_theta_full        30.01
_diffrn_measured_fraction_theta_full 0.984
_refine_diff_density_max         1.135
_refine_diff_density_min         -1.217
_refine_diff_density_rms         0.068
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_40
_database_code_depnum_ccdc_archive 'CCDC 1414526'
_audit_update_record             
;
2015-11-03 deposited with the CCDC.
2015-11-26 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT410_40                  
;
PROBLEM: Short Intra H...H Contact  H6B    ..  H7C     ..       1.76 Ang.
RESPONSE: These H atoms are included in a disordered part of the molecule
;

# Added during the CSD deposition process: Tuesday 3rd of November 2015 02:49:34 PM
# end Validation Reply Form


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C38 H46 Cl N2 Rh'
_chemical_formula_sum            'C38 H46 Cl N2 Rh'
_chemical_formula_weight         669.13

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
Cl Cl 0.1484 0.1585 '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'

_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P 212121'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'

_cell_length_a                   15.1213(5)
_cell_length_b                   11.1057(3)
_cell_length_c                   20.3596(7)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     3419.04(19)
_cell_formula_units_Z            4
_cell_measurement_temperature    295
_cell_measurement_reflns_used    14007
_cell_measurement_theta_min      3.52
_cell_measurement_theta_max      27.00

_exptl_crystal_description       prismatic
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.14
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.300
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1400
_exptl_absorpt_coefficient_mu    0.605
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.850
_exptl_absorpt_correction_T_max  0.935
_exptl_absorpt_process_details   'SORTAV (Blessing, Acta Cryst., 1995, A51, 33)'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      295
_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  'Nonius Kappa CCD'
_diffrn_measurement_method       'φ scans and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            14007
_diffrn_reflns_av_R_equivalents  0.1111
_diffrn_reflns_av_sigmaI/netI    0.0938
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         3.52
_diffrn_reflns_theta_max         27.00
_reflns_number_total             7166
_reflns_number_gt                5908
_reflns_threshold_expression     I>2sigma(I)

_computing_data_collection       'COLLECT (Nonius, 1998)'
_computing_cell_refinement       'Denzo-SMN (Otwinowski & Minor, 1997)'
_computing_data_reduction        'Denzo-SMN (Otwinowski & Minor, 1997)'
_computing_structure_solution    'SIR97 (Altomare et al., 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'ORTEPIII (Burnett & Johnson, 1996)'
_computing_publication_material  
'SHELXL-97 (Sheldrick, 1997), PARST (Nardelli, 1995)'

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² 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/[σ²(Fo²)+(0.1199P)²+0.0000P] where P=(Fo²+2Fc²)/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_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.02(5)
_refine_ls_number_reflns         7166
_refine_ls_number_parameters     379
_refine_ls_number_restraints     8
_refine_ls_R_factor_all          0.0900
_refine_ls_R_factor_gt           0.0724
_refine_ls_wR_factor_ref         0.1807
_refine_ls_wR_factor_gt          0.1686
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_restrained_S_all      1.051
_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 0.31562(3) 0.76458(4) 0.69716(2) 0.04346(16) Uani 1 1 d . B .
Cl1 Cl 0.35977(15) 0.94015(18) 0.63793(11) 0.0735(5) Uani 1 1 d . . .
C1 C 0.2452(4) 0.7096(5) 0.6197(3) 0.0451(13) Uani 1 1 d . . .
N1 N 0.2745(3) 0.6357(5) 0.5712(2) 0.0437(10) Uani 1 1 d . . .
N2 N 0.1600(3) 0.7358(5) 0.6062(2) 0.0469(11) Uani 1 1 d . . .
C2 C 0.2141(4) 0.6307(6) 0.5142(3) 0.0487(14) Uani 1 1 d . . .
H2 H 0.2066 0.5466 0.5006 0.058 Uiso 1 1 calc R . .
C3 C 0.1268(4) 0.6763(5) 0.5461(3) 0.0441(12) Uani 1 1 d . . .
H3 H 0.0985 0.7357 0.5174 0.053 Uiso 1 1 calc R . .
C4 C 0.3156(5) 0.5922(6) 0.7379(3) 0.0602(15) Uani 1 1 d . B .
H4 H 0.3131 0.5645 0.6949 0.072 Uiso 1 1 calc R . .
C5 C 0.2439(5) 0.6531(7) 0.7607(4) 0.0613(18) Uani 1 1 d . B .
H5 H 0.1964 0.6632 0.7322 0.074 Uiso 1 1 calc R . .
C6 C 0.2356(6) 0.7057(10) 0.8290(4) 0.088(3) Uani 1 1 d D . .
H6A H 0.2289 0.6404 0.8603 0.106 Uiso 1 1 calc R A 1
H6B H 0.1825 0.7545 0.8310 0.106 Uiso 1 1 calc R A 1
C7 C 0.3150(9) 0.7833(13) 0.8496(5) 0.059(3) Uiso 0.50 1 d PD B 1
H7A H 0.2956 0.8432 0.8812 0.071 Uiso 0.50 1 calc PR B 1
H7B H 0.3587 0.7327 0.8710 0.071 Uiso 0.50 1 calc PR B 1
C7' C 0.2846(10) 0.8231(13) 0.8410(8) 0.071(4) Uiso 0.50 1 d PD B 2
H7C H 0.2427 0.8891 0.8394 0.085 Uiso 0.50 1 calc PR B 2
H7D H 0.3102 0.8214 0.8846 0.085 Uiso 0.50 1 calc PR B 2
C8 C 0.3573(6) 0.8462(8) 0.7914(3) 0.073(2) Uani 1 1 d D . .
H8 H 0.3367 0.9192 0.7750 0.087 Uiso 1 1 calc R B 1
C9 C 0.4281(5) 0.7871(8) 0.7651(5) 0.076(2) Uani 1 1 d D B .
H9 H 0.4588 0.8145 0.7285 0.091 Uiso 1 1 calc R C 1
C10 C 0.4513(13) 0.6735(10) 0.8012(10) 0.086(5) Uiso 0.50 1 d PD B 1
H10A H 0.4395 0.6843 0.8477 0.104 Uiso 0.50 1 calc PR B 1
H10B H 0.5140 0.6574 0.7960 0.104 Uiso 0.50 1 calc PR B 1
C10' C 0.4698(8) 0.6624(9) 0.7699(12) 0.078(5) Uiso 0.50 1 d PD B 2
H10C H 0.5083 0.6591 0.8080 0.093 Uiso 0.50 1 calc PR B 2
H10D H 0.5054 0.6473 0.7312 0.093 Uiso 0.50 1 calc PR B 2
C11 C 0.3984(7) 0.5656(9) 0.7759(6) 0.098(3) Uani 1 1 d D . .
H11A H 0.4371 0.5180 0.7481 0.117 Uiso 1 1 calc R B 1
H11B H 0.3826 0.5160 0.8133 0.117 Uiso 1 1 calc R B 1
C12 C 0.3590(4) 0.5761(6) 0.5715(3) 0.0493(14) Uani 1 1 d . . .
C13 C 0.3624(5) 0.4499(6) 0.5725(3) 0.0528(15) Uani 1 1 d . . .
C14 C 0.4471(6) 0.3996(8) 0.5717(4) 0.071(2) Uani 1 1 d . . .
H14 H 0.4523 0.3161 0.5707 0.086 Uiso 1 1 calc R . .
C15 C 0.5222(6) 0.4668(10) 0.5722(5) 0.082(3) Uani 1 1 d . . .
H15 H 0.5774 0.4299 0.5712 0.099 Uiso 1 1 calc R . .
C16 C 0.5154(6) 0.5927(10) 0.5742(5) 0.077(2) Uani 1 1 d . . .
H16 H 0.5661 0.6399 0.5761 0.092 Uiso 1 1 calc R . .
C17 C 0.4347(4) 0.6452(7) 0.5734(3) 0.0581(16) Uani 1 1 d . . .
H17 H 0.4302 0.7287 0.5740 0.070 Uiso 1 1 calc R . .
C18 C 0.2820(5) 0.3714(6) 0.5794(4) 0.0600(17) Uani 1 1 d . . .
H18 H 0.2320 0.4247 0.5889 0.072 Uiso 1 1 calc R . .
C19 C 0.2590(7) 0.3017(9) 0.5170(6) 0.087(3) Uani 1 1 d . . .
H19A H 0.2578 0.3560 0.4803 0.131 Uiso 1 1 calc R . .
H19B H 0.2020 0.2647 0.5219 0.131 Uiso 1 1 calc R . .
H19C H 0.3028 0.2406 0.5095 0.131 Uiso 1 1 calc R . .
C20 C 0.2903(8) 0.2826(8) 0.6383(5) 0.088(3) Uani 1 1 d . . .
H20A H 0.3349 0.2235 0.6287 0.132 Uiso 1 1 calc R . .
H20B H 0.2346 0.2431 0.6453 0.132 Uiso 1 1 calc R . .
H20C H 0.3066 0.3263 0.6771 0.132 Uiso 1 1 calc R . .
C21 C 0.1130(4) 0.8375(6) 0.6386(3) 0.0514(14) Uani 1 1 d . . .
H21 H 0.1437 0.8541 0.6800 0.062 Uiso 1 1 calc R . .
C22 C 0.1192(6) 0.9521(7) 0.5962(5) 0.070(2) Uani 1 1 d . . .
H22A H 0.1807 0.9722 0.5886 0.084 Uiso 1 1 calc R . .
H22B H 0.0913 0.9381 0.5539 0.084 Uiso 1 1 calc R . .
C23 C 0.0732(7) 1.0558(8) 0.6312(6) 0.093(3) Uani 1 1 d . . .
H23A H 0.1046 1.0738 0.6716 0.111 Uiso 1 1 calc R . .
H23B H 0.0753 1.1269 0.6036 0.111 Uiso 1 1 calc R . .
C24 C -0.0201(7) 1.0275(9) 0.6469(7) 0.103(3) Uani 1 1 d . . .
H24A H -0.0530 1.0158 0.6065 0.123 Uiso 1 1 calc R . .
H24B H -0.0465 1.0945 0.6703 0.123 Uiso 1 1 calc R . .
C25 C -0.0260(7) 0.9166(11) 0.6879(7) 0.102(3) Uani 1 1 d . . .
H25A H -0.0877 0.8975 0.6956 0.122 Uiso 1 1 calc R . .
H25B H 0.0016 0.9316 0.7301 0.122 Uiso 1 1 calc R . .
C26 C 0.0192(5) 0.8089(8) 0.6551(5) 0.075(2) Uani 1 1 d . . .
H26A H 0.0173 0.7401 0.6844 0.091 Uiso 1 1 calc R . .
H26B H -0.0125 0.7878 0.6153 0.091 Uiso 1 1 calc R . .
C27 C 0.2437(4) 0.7041(6) 0.4564(3) 0.0549(15) Uani 1 1 d . . .
C28 C 0.2209(8) 0.6643(10) 0.3940(4) 0.089(3) Uani 1 1 d . . .
H28 H 0.1933 0.5900 0.3888 0.106 Uiso 1 1 calc R . .
C29 C 0.2390(8) 0.7348(15) 0.3391(5) 0.112(4) Uani 1 1 d . . .
H29 H 0.2231 0.7074 0.2975 0.135 Uiso 1 1 calc R . .
C30 C 0.2786(8) 0.8407(13) 0.3455(5) 0.107(4) Uani 1 1 d . . .
H30 H 0.2891 0.8881 0.3086 0.128 Uiso 1 1 calc R . .
C31 C 0.3038(6) 0.8798(10) 0.4055(5) 0.092(3) Uani 1 1 d . . .
H31 H 0.3342 0.9524 0.4090 0.111 Uiso 1 1 calc R . .
C32 C 0.2853(5) 0.8136(8) 0.4629(4) 0.070(2) Uani 1 1 d . . .
H32 H 0.3007 0.8432 0.5041 0.084 Uiso 1 1 calc R . .
C33 C 0.0652(4) 0.5729(6) 0.5578(3) 0.0483(13) Uani 1 1 d . . .
C34 C 0.0134(5) 0.5333(6) 0.5046(4) 0.0576(16) Uani 1 1 d . . .
H34 H 0.0109 0.5785 0.4662 0.069 Uiso 1 1 calc R . .
C35 C -0.0344(6) 0.4263(7) 0.5096(5) 0.071(2) Uani 1 1 d . . .
H35 H -0.0677 0.3996 0.4740 0.085 Uiso 1 1 calc R . .
C36 C -0.0328(5) 0.3592(7) 0.5670(4) 0.072(2) Uani 1 1 d . . .
H36 H -0.0655 0.2886 0.5704 0.086 Uiso 1 1 calc R . .
C37 C 0.0173(5) 0.3983(7) 0.6184(4) 0.0651(18) Uani 1 1 d . . .
H37 H 0.0189 0.3529 0.6567 0.078 Uiso 1 1 calc R . .
C38 C 0.0658(5) 0.5035(6) 0.6151(3) 0.0545(14) Uani 1 1 d . . .
H38 H 0.0990 0.5282 0.6511 0.065 Uiso 1 1 calc R . .


_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 1.998(7) . ?
Rh1 C4 2.086(7) . ?
Rh1 C5 2.093(7) . ?
Rh1 C9 2.206(7) . ?
Rh1 C8 2.214(7) . ?
Rh1 Cl1 2.3877(19) . ?
C1 N2 1.348(7) . ?
C1 N1 1.358(8) . ?
N1 C12 1.439(8) . ?
N1 C2 1.479(8) . ?
N2 C3 1.478(7) . ?
N2 C21 1.488(8) . ?
C2 C27 1.499(10) . ?
C2 C3 1.556(9) . ?
C2 H2 0.9800 . ?
C3 C33 1.497(8) . ?
C3 H3 0.9800 . ?
C4 C5 1.360(11) . ?
C4 C11 1.501(12) . ?
C4 H4 0.9300 . ?
C5 C6 1.514(11) . ?
C5 H5 0.9300 . ?
C6 C7' 1.519(9) . ?
C6 C7 1.536(9) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C7 C8 1.518(9) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C7' C8 1.514(9) . ?
C7' H7C 0.9700 . ?
C7' H7D 0.9700 . ?
C8 C9 1.365(13) . ?
C8 H8 0.9300 . ?
C9 C10 1.502(9) . ?
C9 C10' 1.525(9) . ?
C9 H9 0.9300 . ?
C10 C11 1.529(9) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C10' C11 1.528(9) . ?
C10' H10C 0.9700 . ?
C10' H10D 0.9700 . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 C17 1.378(10) . ?
C12 C13 1.403(10) . ?
C13 C14 1.398(10) . ?
C13 C18 1.502(11) . ?
C14 C15 1.360(14) . ?
C14 H14 0.9300 . ?
C15 C16 1.402(15) . ?
C15 H15 0.9300 . ?
C16 C17 1.352(11) . ?
C16 H16 0.9300 . ?
C17 H17 0.9300 . ?
C18 C19 1.529(11) . ?
C18 C20 1.557(11) . ?
C18 H18 0.9800 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 C26 1.492(10) . ?
C21 C22 1.540(11) . ?
C21 H21 0.9800 . ?
C22 C23 1.524(12) . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C23 C24 1.481(16) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C24 C25 1.490(18) . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C25 C26 1.531(13) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C26 H26A 0.9700 . ?
C26 H26B 0.9700 . ?
C27 C32 1.376(11) . ?
C27 C28 1.390(11) . ?
C28 C29 1.392(15) . ?
C28 H28 0.9300 . ?
C29 C30 1.327(18) . ?
C29 H29 0.9300 . ?
C30 C31 1.351(17) . ?
C30 H30 0.9300 . ?
C31 C32 1.410(11) . ?
C31 H31 0.9300 . ?
C32 H32 0.9300 . ?
C33 C38 1.399(10) . ?
C33 C34 1.407(9) . ?
C34 C35 1.394(11) . ?
C34 H34 0.9300 . ?
C35 C36 1.386(13) . ?
C35 H35 0.9300 . ?
C36 C37 1.363(12) . ?
C36 H36 0.9300 . ?
C37 C38 1.380(10) . ?
C37 H37 0.9300 . ?
C38 H38 0.9300 . ?

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 C4 91.9(3) . . ?
C1 Rh1 C5 91.8(3) . . ?
C4 Rh1 C5 38.0(3) . . ?
C1 Rh1 C9 160.1(3) . . ?
C4 Rh1 C9 81.6(3) . . ?
C5 Rh1 C9 94.5(3) . . ?
C1 Rh1 C8 163.9(3) . . ?
C4 Rh1 C8 91.8(3) . . ?
C5 Rh1 C8 81.6(3) . . ?
C9 Rh1 C8 36.0(3) . . ?
C1 Rh1 Cl1 90.01(17) . . ?
C4 Rh1 Cl1 161.8(2) . . ?
C5 Rh1 Cl1 160.0(2) . . ?
C9 Rh1 Cl1 90.5(2) . . ?
C8 Rh1 Cl1 91.34(19) . . ?
N2 C1 N1 107.1(5) . . ?
N2 C1 Rh1 127.2(4) . . ?
N1 C1 Rh1 125.7(4) . . ?
C1 N1 C12 124.4(5) . . ?
C1 N1 C2 113.1(5) . . ?
C12 N1 C2 122.3(5) . . ?
C1 N2 C3 113.4(5) . . ?
C1 N2 C21 122.0(5) . . ?
C3 N2 C21 122.9(5) . . ?
N1 C2 C27 114.3(5) . . ?
N1 C2 C3 100.6(5) . . ?
C27 C2 C3 113.8(5) . . ?
N1 C2 H2 109.3 . . ?
C27 C2 H2 109.3 . . ?
C3 C2 H2 109.3 . . ?
N2 C3 C33 115.1(5) . . ?
N2 C3 C2 101.7(4) . . ?
C33 C3 C2 110.1(5) . . ?
N2 C3 H3 109.9 . . ?
C33 C3 H3 109.9 . . ?
C2 C3 H3 109.9 . . ?
C5 C4 C11 126.0(8) . . ?
C5 C4 Rh1 71.3(4) . . ?
C11 C4 Rh1 112.7(5) . . ?
C5 C4 H4 117.0 . . ?
C11 C4 H4 117.0 . . ?
Rh1 C4 H4 85.9 . . ?
C4 C5 C6 124.9(8) . . ?
C4 C5 Rh1 70.7(4) . . ?
C6 C5 Rh1 112.5(5) . . ?
C4 C5 H5 117.6 . . ?
C6 C5 H5 117.6 . . ?
Rh1 C5 H5 86.7 . . ?
C5 C6 C7' 115.9(8) . . ?
C5 C6 C7 113.8(7) . . ?
C7' C6 C7 25.0(7) . . ?
C5 C6 H6A 108.8 . . ?
C7' C6 H6A 126.0 . . ?
C7 C6 H6A 108.8 . . ?
C5 C6 H6B 108.8 . . ?
C7' C6 H6B 85.3 . . ?
C7 C6 H6B 108.8 . . ?
H6A C6 H6B 107.7 . . ?
C8 C7 C6 112.0(8) . . ?
C8 C7 H7A 109.2 . . ?
C6 C7 H7A 109.2 . . ?
C8 C7 H7B 109.2 . . ?
C6 C7 H7B 109.2 . . ?
H7A C7 H7B 107.9 . . ?
C8 C7' C6 113.2(8) . . ?
C8 C7' H7C 108.9 . . ?
C6 C7' H7C 108.9 . . ?
C8 C7' H7D 108.9 . . ?
C6 C7' H7D 108.9 . . ?
H7C C7' H7D 107.8 . . ?
C9 C8 C7' 138.5(10) . . ?
C9 C8 C7 114.6(10) . . ?
C7' C8 C7 25.2(7) . . ?
C9 C8 Rh1 71.7(5) . . ?
C7' C8 Rh1 107.5(7) . . ?
C7 C8 Rh1 111.6(5) . . ?
C9 C8 H8 122.7 . . ?
C7' C8 H8 98.3 . . ?
C7 C8 H8 122.7 . . ?
Rh1 C8 H8 87.1 . . ?
C8 C9 C10 113.3(12) . . ?
C8 C9 C10' 137.4(9) . . ?
C10 C9 C10' 27.0(10) . . ?
C8 C9 Rh1 72.3(4) . . ?
C10 C9 Rh1 113.0(7) . . ?
C10' C9 Rh1 104.8(8) . . ?
C8 C9 H9 123.4 . . ?
C10 C9 H9 123.4 . . ?
C10' C9 H9 98.1 . . ?
Rh1 C9 H9 85.4 . . ?
C9 C10 C11 111.8(9) . . ?
C9 C10 H10A 109.3 . . ?
C11 C10 H10A 109.3 . . ?
C9 C10 H10B 109.3 . . ?
C11 C10 H10B 109.3 . . ?
H10A C10 H10B 107.9 . . ?
C9 C10' C11 110.6(9) . . ?
C9 C10' H10C 109.5 . . ?
C11 C10' H10C 109.5 . . ?
C9 C10' H10D 109.5 . . ?
C11 C10' H10D 109.5 . . ?
H10C C10' H10D 108.1 . . ?
C4 C11 C10' 114.2(9) . . ?
C4 C11 C10 117.1(9) . . ?
C10' C11 C10 26.7(10) . . ?
C4 C11 H11A 108.0 . . ?
C10' C11 H11A 85.0 . . ?
C10 C11 H11A 108.0 . . ?
C4 C11 H11B 108.0 . . ?
C10' C11 H11B 129.5 . . ?
C10 C11 H11B 108.0 . . ?
H11A C11 H11B 107.3 . . ?
C17 C12 C13 121.7(6) . . ?
C17 C12 N1 118.7(6) . . ?
C13 C12 N1 119.5(6) . . ?
C14 C13 C12 115.6(7) . . ?
C14 C13 C18 120.7(7) . . ?
C12 C13 C18 123.5(6) . . ?
C15 C14 C13 123.1(8) . . ?
C15 C14 H14 118.4 . . ?
C13 C14 H14 118.4 . . ?
C14 C15 C16 119.1(7) . . ?
C14 C15 H15 120.5 . . ?
C16 C15 H15 120.5 . . ?
C17 C16 C15 119.8(8) . . ?
C17 C16 H16 120.1 . . ?
C15 C16 H16 120.1 . . ?
C16 C17 C12 120.6(8) . . ?
C16 C17 H17 119.7 . . ?
C12 C17 H17 119.7 . . ?
C13 C18 C19 113.5(7) . . ?
C13 C18 C20 112.0(7) . . ?
C19 C18 C20 109.7(7) . . ?
C13 C18 H18 107.1 . . ?
C19 C18 H18 107.1 . . ?
C20 C18 H18 107.1 . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C18 C20 H20A 109.5 . . ?
C18 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C18 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
N2 C21 C26 113.1(6) . . ?
N2 C21 C22 110.4(6) . . ?
C26 C21 C22 111.1(6) . . ?
N2 C21 H21 107.3 . . ?
C26 C21 H21 107.3 . . ?
C22 C21 H21 107.3 . . ?
C23 C22 C21 109.5(8) . . ?
C23 C22 H22A 109.8 . . ?
C21 C22 H22A 109.8 . . ?
C23 C22 H22B 109.8 . . ?
C21 C22 H22B 109.8 . . ?
H22A C22 H22B 108.2 . . ?
C24 C23 C22 112.0(8) . . ?
C24 C23 H23A 109.2 . . ?
C22 C23 H23A 109.2 . . ?
C24 C23 H23B 109.2 . . ?
C22 C23 H23B 109.2 . . ?
H23A C23 H23B 107.9 . . ?
C23 C24 C25 110.7(8) . . ?
C23 C24 H24A 109.5 . . ?
C25 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
C25 C24 H24B 109.5 . . ?
H24A C24 H24B 108.1 . . ?
C24 C25 C26 112.0(10) . . ?
C24 C25 H25A 109.2 . . ?
C26 C25 H25A 109.2 . . ?
C24 C25 H25B 109.2 . . ?
C26 C25 H25B 109.2 . . ?
H25A C25 H25B 107.9 . . ?
C21 C26 C25 110.9(8) . . ?
C21 C26 H26A 109.5 . . ?
C25 C26 H26A 109.5 . . ?
C21 C26 H26B 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 108.1 . . ?
C32 C27 C28 118.8(8) . . ?
C32 C27 C2 122.8(6) . . ?
C28 C27 C2 118.1(7) . . ?
C27 C28 C29 120.5(10) . . ?
C27 C28 H28 119.8 . . ?
C29 C28 H28 119.8 . . ?
C30 C29 C28 120.6(10) . . ?
C30 C29 H29 119.7 . . ?
C28 C29 H29 119.7 . . ?
C29 C30 C31 120.1(9) . . ?
C29 C30 H30 120.0 . . ?
C31 C30 H30 120.0 . . ?
C30 C31 C32 121.8(10) . . ?
C30 C31 H31 119.1 . . ?
C32 C31 H31 119.1 . . ?
C27 C32 C31 118.2(9) . . ?
C27 C32 H32 120.9 . . ?
C31 C32 H32 120.9 . . ?
C38 C33 C34 118.2(6) . . ?
C38 C33 C3 123.4(6) . . ?
C34 C33 C3 117.7(6) . . ?
C35 C34 C33 120.0(7) . . ?
C35 C34 H34 120.0 . . ?
C33 C34 H34 120.0 . . ?
C36 C35 C34 120.7(7) . . ?
C36 C35 H35 119.7 . . ?
C34 C35 H35 119.7 . . ?
C37 C36 C35 119.0(7) . . ?
C37 C36 H36 120.5 . . ?
C35 C36 H36 120.5 . . ?
C36 C37 C38 121.9(7) . . ?
C36 C37 H37 119.1 . . ?
C38 C37 H37 119.1 . . ?
C37 C38 C33 120.2(6) . . ?
C37 C38 H38 119.9 . . ?
C33 C38 H38 119.9 . . ?

_diffrn_measured_fraction_theta_max 0.982
_diffrn_reflns_theta_full        27.00
_diffrn_measured_fraction_theta_full 0.982
_refine_diff_density_max         2.783
_refine_diff_density_min         -1.197
_refine_diff_density_rms         0.129
