# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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_Nishiyama_ito34
_database_code_depnum_ccdc_archive 'CCDC 1507453'
_audit_update_record             
;
2016-09-30 deposited with the CCDC.	2019-09-18 downloaded from the CCDC.
;
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C26 H31 Cl2 N2 Rh'
_chemical_formula_iupac          ?
_chemical_formula_weight         545.34
_chemical_absolute_configuration rm

_chemical_melting_point          ?

_space_group_crystal_system      monoclinic
_space_group_name_H-M_alt        'C 1 2 1'
_space_group_name_Hall           'C 2y'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'

_cell_length_a                   16.4067(10)
_cell_length_b                   17.1103(11)
_cell_length_c                   10.8096(7)
_cell_angle_alpha                90
_cell_angle_beta                 127.0881(14)
_cell_angle_gamma                90
_cell_volume                     2420.7(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    8128
_cell_measurement_theta_min      2.5298
_cell_measurement_theta_max      25.0283
_cell_measurement_temperature    93.0(2)

_exptl_crystal_description       prism
_exptl_crystal_colour            'clear pale red'
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_exptl_crystal_density_diffrn    1.496
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1120

_exptl_absorpt_coefficient_mu    0.942
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS V2012/1 (Bruker AXS Inc.)'
_exptl_absorpt_correction_T_min  0.74
_exptl_absorpt_correction_T_max  0.83

_exptl_special_details           
;
;

_diffrn_ambient_temperature      93.0(2)

_diffrn_source                   'sealed tube'
_diffrn_source_type              ?

_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  graphite

_diffrn_measurement_device_type  'Bruker D8 goniometer'
_diffrn_measurement_method       'omega scans'

_diffrn_detector_area_resol_mean 10.4167

_diffrn_reflns_number            8335
_diffrn_reflns_av_R_equivalents  0.0253
_diffrn_reflns_av_unetI/netI     0.0352
_diffrn_reflns_theta_min         2.23
_diffrn_reflns_theta_max         25.05
_diffrn_reflns_theta_full        25.05
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measured_fraction_theta_full 0.989
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_limit_l_max       12

_refine_special_details          
;
;

_reflns_number_total             4104
_reflns_number_gt                4052
_reflns_threshold_expression     'I > 2σ(I)'

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_R_factor_all          0.0255
_refine_ls_R_factor_gt           0.0253
_refine_ls_wR_factor_gt          0.0761
_refine_ls_wR_factor_ref         0.0766
_refine_ls_goodness_of_fit_ref   1.290
_refine_ls_restrained_S_all      1.290
_refine_ls_number_reflns         4104
_refine_ls_number_parameters     292
_refine_ls_number_restraints     1
_refine_ls_number_constraints    ?
_refine_ls_hydrogen_treatment    mixed
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0447P)²] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?

_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         0.991
_refine_diff_density_min         -0.856
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_extinction_coef       0.0085(6)
_refine_ls_abs_structure_details 
;
;
_refine_ls_abs_structure_Flack   0.012(12)

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'

_computing_data_collection       'Bruker Instrument Service v3.0.29'
_computing_cell_refinement       'SAINT V8.32B (Bruker AXS Inc., 2013)'
_computing_data_reduction        'SAINT V8.32B (Bruker AXS Inc., 2013)'
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'XSHELL V6.3.1 (Bruke AXS)'
_computing_publication_material  'Generate Report (Bruker AXS)'

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C C1 0 0.4745(5) 0 0.0106(16) Uani d T P S 1 . .
C C2 0.0637(4) 0.4360(3) 0.1417(6) 0.0122(12) Uani d . . . 1 . .
C C3 0.0625(4) 0.3568(4) 0.1428(6) 0.0117(11) Uani d . . . 1 . .
C C4 0 0.3167(5) 0 0.0161(18) Uani d T P S 1 . .
H H4 0 0.2612 0 0.019 Uiso calc U P R 1 . .
C C5 0.1256(4) 0.3101(3) 0.2924(6) 0.0176(12) Uani d . . . 1 . .
H H5A 0.1979 0.3243 0.35 0.026 Uiso calc U . R 1 . .
H H5B 0.1172 0.2542 0.2681 0.026 Uiso calc U . R 1 . .
H H5C 0.1026 0.3218 0.3556 0.026 Uiso calc U . R 1 . .
C C6 0.1315(4) 0.4897(3) 0.2803(6) 0.0141(12) Uani d . . . 1 . .
H H6A 0.1357 0.4702 0.3703 0.017 Uiso calc U . R 1 . .
H H6B 0.2013 0.4907 0.3092 0.017 Uiso calc U . R 1 . .
C C7 0.1649(4) 0.6334(3) 0.3383(6) 0.0146(10) Uani d . . . 1 . .
H H7 0.2191 0.6305 0.3227 0.017 Uiso calc U . R 1 . .
C C8 0.1139(5) 0.7130(3) 0.2818(7) 0.0257(15) Uani d . . . 1 . .
H H8A 0.0894 0.721 0.1747 0.039 Uiso calc U . R 1 . .
H H8B 0.1634 0.7539 0.3481 0.039 Uiso calc U . R 1 . .
H H8C 0.0561 0.7155 0.2864 0.039 Uiso calc U . R 1 . .
C C9 0.2151(4) 0.6186(3) 0.5077(5) 0.0140(10) Uani d . . . 1 . .
C C10 0.1601(4) 0.6230(3) 0.5678(6) 0.0219(12) Uani d . . . 1 . .
H H10 0.0894 0.6357 0.5008 0.026 Uiso calc U . R 1 . .
C C11 0.2065(5) 0.6093(3) 0.7225(7) 0.0295(13) Uani d . . . 1 . .
H H11 0.168 0.6119 0.7617 0.035 Uiso calc U . R 1 . .
C C12 0.3093(5) 0.5917(4) 0.8202(6) 0.0311(13) Uani d . . . 1 . .
H H12 0.3419 0.583 0.9273 0.037 Uiso calc U . R 1 . .
C C13 0.3653(4) 0.5865(4) 0.7638(6) 0.0288(12) Uani d . . . 1 . .
H H13 0.436 0.5741 0.8319 0.035 Uiso calc U . R 1 . .
C C14 0.3183(4) 0.5995(3) 0.6069(6) 0.0194(12) Uani d . . . 1 . .
H H14 0.3567 0.5953 0.5679 0.023 Uiso calc U . R 1 . .
C C15 0.5 0.5259(4) 0.5 0.0103(15) Uani d T P S 1 . .
C C16 0.5542(4) 0.5615(3) 0.6426(6) 0.0103(12) Uani d . . . 1 . .
C C17 0.5537(4) 0.6458(3) 0.6427(7) 0.0154(12) Uani d . . . 1 . .
C C18 0.5 0.6824(4) 0.5 0.0128(17) Uani d T P S 1 . .
H H18 0.5 0.7379 0.5 0.015 Uiso calc U P R 1 . .
C C19 0.6078(4) 0.6912(3) 0.7916(6) 0.0198(12) Uani d . . . 1 . .
H H19A 0.615 0.7458 0.7723 0.03 Uiso calc U . R 1 . .
H H19B 0.6756 0.6686 0.8677 0.03 Uiso calc U . R 1 . .
H H19C 0.5681 0.6888 0.8321 0.03 Uiso calc U . R 1 . .
C C20 0.6026(4) 0.5081(3) 0.7810(6) 0.0121(11) Uani d . . . 1 . .
H H20A 0.6697 0.5293 0.8682 0.014 Uiso calc U . R 1 . .
H H20B 0.5585 0.5041 0.8147 0.014 Uiso calc U . R 1 . .
C C21 0.6279(3) 0.3656(3) 0.8420(5) 0.0134(10) Uani d . . . 1 . .
H H21 0.561 0.3599 0.8247 0.016 Uiso calc U . R 1 . .
C C22 0.6490(4) 0.2900(3) 0.7937(6) 0.0214(13) Uani d . . . 1 . .
H H22A 0.5925 0.2787 0.6852 0.032 Uiso calc U . R 1 . .
H H22B 0.6554 0.2473 0.8596 0.032 Uiso calc U . R 1 . .
H H22C 0.7127 0.2949 0.805 0.032 Uiso calc U . R 1 . .
C C23 0.7093(3) 0.3831(3) 1.0132(5) 0.0132(10) Uani d . . . 1 . .
C C24 0.6836(4) 0.3789(3) 1.1146(6) 0.0174(10) Uani d . . . 1 . .
H H24 0.6153 0.3673 1.0753 0.021 Uiso calc U . R 1 . .
C C25 0.7568(4) 0.3914(3) 1.2724(6) 0.0222(13) Uani d . . . 1 . .
H H25 0.7387 0.3879 1.3407 0.027 Uiso calc U . R 1 . .
C C26 0.8555(3) 0.4088(4) 1.3295(5) 0.0188(10) Uani d . . . 1 . .
H H26 0.9058 0.4177 1.4373 0.023 Uiso calc U . R 1 . .
C C27 0.8814(4) 0.4133(4) 1.2286(5) 0.0178(11) Uani d . . . 1 . .
H H27 0.9496 0.4254 1.2682 0.021 Uiso calc U . R 1 . .
C C28 0.8096(3) 0.4005(3) 1.0725(5) 0.0145(12) Uani d . . . 1 . .
H H28 0.8284 0.4035 1.005 0.017 Uiso calc U . R 1 . .
Cl Cl1 0.14219(8) 0.59501(8) 0.00407(13) 0.0161(3) Uani d . . . 1 . .
Cl Cl2 0.37808(8) 0.40558(8) 0.54227(13) 0.0147(3) Uani d . . . 1 . .
N N1 0.0867(3) 0.5714(2) 0.2385(4) 0.0131(8) Uani d . . . 1 . .
N N2 0.6162(3) 0.4292(2) 0.7361(4) 0.0122(8) Uani d . . . 1 . .
Rh Rh1 0 0.58602(2) 0 0.00917(16) Uani d T P S 1 . .
Rh Rh2 0.5 0.41376(2) 0.5 0.00883(16) Uani d T P S 1 . .
H H30 0.036(4) 0.575(3) 0.255(6) 0.027(14) Uiso d . . . 1 . .


_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_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
C1 C2 2 1.393(7) ?
C1 C2 . 1.393(7) ?
C1 Rh1 . 1.909(8) ?
C2 C3 . 1.355(9) ?
C2 C6 . 1.523(8) ?
C3 C4 . 1.413(7) ?
C3 C5 . 1.518(8) ?
C4 C3 2 1.413(7) ?
C6 N1 . 1.515(6) ?
C7 N1 . 1.504(6) ?
C7 C9 . 1.509(7) ?
C7 C8 . 1.521(7) ?
C9 C14 . 1.390(7) ?
C9 C10 . 1.397(7) ?
C10 C11 . 1.377(8) ?
C11 C12 . 1.380(9) ?
C12 C13 . 1.377(8) ?
C13 C14 . 1.394(7) ?
C15 C16 . 1.373(6) ?
C15 C16 2_656 1.373(6) ?
C15 Rh2 . 1.919(8) ?
C16 C17 . 1.443(9) ?
C16 C20 . 1.507(7) ?
C17 C18 . 1.381(7) ?
C17 C19 . 1.503(8) ?
C18 C17 2_656 1.381(7) ?
C20 N2 . 1.496(6) ?
C21 N2 . 1.505(6) ?
C21 C22 . 1.512(7) ?
C21 C23 . 1.522(6) ?
C23 C28 . 1.391(6) ?
C23 C24 . 1.393(6) ?
C24 C25 . 1.388(7) ?
C25 C26 . 1.374(7) ?
C26 C27 . 1.391(6) ?
C27 C28 . 1.373(7) ?
Cl1 Rh1 . 2.3117(10) ?
Cl2 Rh2 . 2.3091(10) ?
N1 Rh1 . 2.076(4) ?
N2 Rh2 . 2.086(4) ?
Rh1 N1 2 2.076(4) ?
Rh1 Cl1 2 2.3117(10) ?
Rh2 N2 2_656 2.086(4) ?
Rh2 Cl2 2_656 2.3092(10) ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C2 C1 C2 2 . 123.6(7) ?
C2 C1 Rh1 2 . 118.2(4) ?
C2 C1 Rh1 . . 118.2(4) ?
C3 C2 C1 . . 118.5(6) ?
C3 C2 C6 . . 126.9(6) ?
C1 C2 C6 . . 114.5(5) ?
C2 C3 C4 . . 118.7(6) ?
C2 C3 C5 . . 122.1(6) ?
C4 C3 C5 . . 119.2(6) ?
C3 C4 C3 2 . 121.9(8) ?
N1 C6 C2 . . 109.2(4) ?
N1 C7 C9 . . 111.0(4) ?
N1 C7 C8 . . 108.6(4) ?
C9 C7 C8 . . 113.7(4) ?
C14 C9 C10 . . 118.8(5) ?
C14 C9 C7 . . 119.7(4) ?
C10 C9 C7 . . 121.5(5) ?
C11 C10 C9 . . 121.1(5) ?
C10 C11 C12 . . 119.4(5) ?
C13 C12 C11 . . 120.6(5) ?
C12 C13 C14 . . 120.1(5) ?
C9 C14 C13 . . 119.9(5) ?
C16 C15 C16 . 2_656 127.3(7) ?
C16 C15 Rh2 . . 116.4(4) ?
C16 C15 Rh2 2_656 . 116.4(4) ?
C15 C16 C17 . . 116.4(6) ?
C15 C16 C20 . . 116.2(5) ?
C17 C16 C20 . . 127.3(5) ?
C18 C17 C16 . . 116.9(6) ?
C18 C17 C19 . . 122.0(6) ?
C16 C17 C19 . . 121.1(5) ?
C17 C18 C17 2_656 . 126.1(8) ?
N2 C20 C16 . . 108.5(4) ?
N2 C21 C22 . . 107.8(4) ?
N2 C21 C23 . . 113.5(4) ?
C22 C21 C23 . . 111.9(4) ?
C28 C23 C24 . . 118.9(4) ?
C28 C23 C21 . . 122.0(4) ?
C24 C23 C21 . . 119.1(4) ?
C25 C24 C23 . . 120.7(4) ?
C26 C25 C24 . . 119.8(4) ?
C25 C26 C27 . . 119.6(4) ?
C28 C27 C26 . . 120.9(5) ?
C27 C28 C23 . . 120.0(4) ?
C7 N1 C6 . . 112.7(4) ?
C7 N1 Rh1 . . 117.1(3) ?
C6 N1 Rh1 . . 109.1(3) ?
C20 N2 C21 . . 112.4(3) ?
C20 N2 Rh2 . . 107.8(3) ?
C21 N2 Rh2 . . 116.3(3) ?
C1 Rh1 N1 . 2 83.09(11) ?
C1 Rh1 N1 . . 83.09(11) ?
N1 Rh1 N1 2 . 166.2(2) ?
C1 Rh1 Cl1 . . 93.82(4) ?
N1 Rh1 Cl1 2 . 87.70(11) ?
N1 Rh1 Cl1 . . 93.22(11) ?
C1 Rh1 Cl1 . 2 93.82(4) ?
N1 Rh1 Cl1 2 2 93.22(11) ?
N1 Rh1 Cl1 . 2 87.70(11) ?
Cl1 Rh1 Cl1 . 2 172.37(7) ?
C15 Rh2 N2 . 2_656 82.74(10) ?
C15 Rh2 N2 . . 82.74(10) ?
N2 Rh2 N2 2_656 . 165.5(2) ?
C15 Rh2 Cl2 . . 93.47(4) ?
N2 Rh2 Cl2 2_656 . 89.33(10) ?
N2 Rh2 Cl2 . . 91.55(10) ?
C15 Rh2 Cl2 . 2_656 93.48(4) ?
N2 Rh2 Cl2 2_656 2_656 91.55(10) ?
N2 Rh2 Cl2 . 2_656 89.33(10) ?
Cl2 Rh2 Cl2 . 2_656 173.05(8) ?

####################################################################### 
# 
# 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_Nishiyama_ito10
_database_code_depnum_ccdc_archive 'CCDC 1507456'
_audit_update_record             
;
2016-09-30 deposited with the CCDC.	2019-09-18 downloaded from the CCDC.
;
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C56 H66 N4 O5 Rh2'
_chemical_formula_iupac          ?
_chemical_formula_weight         1080.94
_chemical_absolute_configuration rm

_chemical_melting_point          ?

_space_group_crystal_system      orthorhombic
_space_group_name_H-M_alt        'P 21 21 2'
_space_group_name_Hall           'P 2 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, -z'

_cell_length_a                   12.3574(6)
_cell_length_b                   17.1055(8)
_cell_length_c                   11.4148(6)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2412.9(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9987
_cell_measurement_theta_min      2.7053
_cell_measurement_theta_max      25.0535
_cell_measurement_temperature    93.(2)

_exptl_crystal_description       prism
_exptl_crystal_colour            'clear pale yellow'
_exptl_crystal_size_max          0.600
_exptl_crystal_size_mid          0.600
_exptl_crystal_size_min          0.300
_exptl_crystal_density_diffrn    1.488
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1120

_exptl_absorpt_coefficient_mu    0.738
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS V2012/1 (Bruker AXS Inc.)'
_exptl_absorpt_correction_T_min  0.69
_exptl_absorpt_correction_T_max  0.81

_exptl_special_details           
;
;

_diffrn_ambient_temperature      93.(2)

_diffrn_source                   'sealed tube'
_diffrn_source_type              ?

_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  graphite

_diffrn_measurement_device_type  'Bruker D8 goniometer'
_diffrn_measurement_method       'omega scans'

_diffrn_detector_area_resol_mean 10.4167

_diffrn_reflns_number            16600
_diffrn_reflns_av_R_equivalents  0.0366
_diffrn_reflns_av_unetI/netI     0.0329
_diffrn_reflns_theta_min         2.38
_diffrn_reflns_theta_max         25.05
_diffrn_reflns_theta_full        25.05
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       13

_refine_special_details          
;
;

_reflns_number_total             4265
_reflns_number_gt                4208
_reflns_threshold_expression     'I > 2σ(I)'

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_R_factor_all          0.0214
_refine_ls_R_factor_gt           0.0210
_refine_ls_wR_factor_gt          0.0549
_refine_ls_wR_factor_ref         0.0551
_refine_ls_goodness_of_fit_ref   1.370
_refine_ls_restrained_S_all      1.370
_refine_ls_number_reflns         4265
_refine_ls_number_parameters     319
_refine_ls_number_restraints     0
_refine_ls_number_constraints    ?
_refine_ls_hydrogen_treatment    mixed
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0200P)²] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?

_refine_ls_shift/su_max          0.026
_refine_ls_shift/su_mean         0.001
_refine_diff_density_max         0.472
_refine_diff_density_min         -0.295
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 
;

Flack x determined using 1796 quotients [(I+)-(I-)]/[(I+)+(I-)]
(Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.043(12)

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_computing_data_collection       'Bruker Instrument Service v3.0.29'
_computing_cell_refinement       'SAINT V8.32B (Bruker AXS Inc., 2013)'
_computing_data_reduction        'SAINT V8.32B (Bruker AXS Inc., 2013)'
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'XSHELL V6.3.1 (Bruke AXS)'
_computing_publication_material  'Generate Report (Bruker AXS)'

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C C1 -0.0629(2) 0.13374(19) 0.2239(3) 0.0120(6) Uani d . . . 1 . .
C C2 -0.0226(2) 0.11957(17) 0.1131(3) 0.0144(6) Uani d . . . 1 . .
C C3 -0.0918(2) 0.12050(18) 0.0158(3) 0.0166(7) Uani d . . . 1 . .
C C4 -0.2008(3) 0.13713(19) 0.0359(3) 0.0169(7) Uani d . . . 1 . .
H H4 -0.2487 0.138 -0.0292 0.02 Uiso calc U . R 1 . .
C C5 -0.2429(2) 0.15252(17) 0.1465(3) 0.0176(7) Uani d . . . 1 . .
C C6 -0.1726(3) 0.15044(17) 0.2425(3) 0.0147(7) Uani d . . . 1 . .
C C7 -0.0500(3) 0.1097(2) -0.1065(3) 0.0212(7) Uani d . . . 1 . .
H H7A -0.1091 0.0925 -0.1575 0.032 Uiso calc U . R 1 . .
H H7B 0.0075 0.0702 -0.1064 0.032 Uiso calc U . R 1 . .
H H7C -0.0209 0.1594 -0.1354 0.032 Uiso calc U . R 1 . .
C C8 -0.3608(3) 0.1722(2) 0.1617(3) 0.0249(8) Uani d . . . 1 . .
H H8A -0.3676 0.2257 0.1916 0.037 Uiso calc U . R 1 . .
H H8B -0.3937 0.1357 0.2174 0.037 Uiso calc U . R 1 . .
H H8C -0.3977 0.1682 0.086 0.037 Uiso calc U . R 1 . .
C C9 0.0981(2) 0.11193(19) 0.1051(3) 0.0162(7) Uani d . . . 1 . .
H H9A 0.1299 0.162 0.0788 0.019 Uiso calc U . R 1 . .
H H9B 0.1171 0.0711 0.0471 0.019 Uiso calc U . R 1 . .
C C10 0.3128(3) 0.04223(19) 0.3134(3) 0.0200(7) Uani d . . . 1 . .
H H10A 0.2981 -0.0097 0.281 0.03 Uiso calc U . R 1 . .
H H10B 0.2804 0.0464 0.3915 0.03 Uiso calc U . R 1 . .
H H10C 0.3912 0.0501 0.3193 0.03 Uiso calc U . R 1 . .
C C11 0.2647(2) 0.10404(19) 0.2339(3) 0.0131(6) Uani d . . . 1 . .
H H11 0.2755 0.1559 0.2725 0.016 Uiso calc U . R 1 . .
C C12 0.3211(2) 0.10679(19) 0.1158(3) 0.0146(7) Uani d . . . 1 . .
C C13 0.3345(3) 0.03882(19) 0.0508(3) 0.0195(7) Uani d . . . 1 . .
H H13 0.3119 -0.0099 0.0823 0.023 Uiso calc U . R 1 . .
C C14 0.3808(3) 0.0417(2) -0.0600(3) 0.0223(7) Uani d . . . 1 . .
H H14 0.3873 -0.0048 -0.1051 0.027 Uiso calc U . R 1 . .
C C15 0.4175(3) 0.1121(2) -0.1048(3) 0.0230(8) Uani d . . . 1 . .
H H15 0.4512 0.1139 -0.1795 0.028 Uiso calc U . R 1 . .
C C16 0.4051(3) 0.1790(2) -0.0412(3) 0.0199(7) Uani d . . . 1 . .
H H16 0.4289 0.2275 -0.0724 0.024 Uiso calc U . R 1 . .
C C17 0.3574(2) 0.17621(18) 0.0699(3) 0.0176(7) Uani d . . . 1 . .
H H17 0.3499 0.223 0.1141 0.021 Uiso calc U . R 1 . .
C C18 -0.2045(2) 0.1640(2) 0.3678(3) 0.0179(7) Uani d . . . 1 . .
H H18A -0.2545 0.122 0.3933 0.022 Uiso calc U . R 1 . .
H H18B -0.2432 0.2145 0.3743 0.022 Uiso calc U . R 1 . .
C C19 -0.0496(3) 0.23371(18) 0.6267(3) 0.0189(7) Uani d . . . 1 . .
H H19A 0.0171 0.2027 0.6278 0.028 Uiso calc U . R 1 . .
H H19B -0.1058 0.2066 0.6716 0.028 Uiso calc U . R 1 . .
H H19C -0.0359 0.285 0.6618 0.028 Uiso calc U . R 1 . .
C C20 -0.0872(2) 0.24418(17) 0.5014(3) 0.0151(7) Uani d . . . 1 . .
H H20 -0.1566 0.2741 0.5012 0.018 Uiso calc U . R 1 . .
C C21 -0.0057(2) 0.28671(17) 0.4269(3) 0.0134(6) Uani d . . . 1 . .
C C22 0.0581(2) 0.24359(17) 0.3481(3) 0.0137(6) Uani d . . . 1 . .
C C23 0.1350(2) 0.28486(18) 0.2835(3) 0.0158(7) Uani d . . . 1 . .
H H23 0.1761 0.258 0.2258 0.019 Uiso calc U . R 1 . .
C C24 0.1532(3) 0.36370(18) 0.3009(3) 0.0183(7) Uani d . . . 1 . .
H H24 0.2088 0.3894 0.2583 0.022 Uiso calc U . R 1 . .
C C25 0.0913(3) 0.40534(19) 0.3794(3) 0.0205(8) Uani d . . . 1 . .
H H25 0.1037 0.4596 0.3906 0.025 Uiso calc U . R 1 . .
C C26 0.0109(3) 0.36752(19) 0.4420(3) 0.0188(7) Uani d . . . 1 . .
H H26 -0.0331 0.3961 0.4951 0.023 Uiso calc U . R 1 . .
C C27 0.1633(2) 0.06565(18) 0.5756(3) 0.0152(7) Uani d . . . 1 . .
C C28 0.2188(3) 0.0819(2) 0.6902(3) 0.0223(8) Uani d . . . 1 . .
H H28A 0.2896 0.1057 0.6754 0.033 Uiso calc U . R 1 . .
H H28B 0.2285 0.0328 0.7332 0.033 Uiso calc U . R 1 . .
H H28C 0.1744 0.1178 0.7368 0.033 Uiso calc U . R 1 . .
N N1 0.1432(2) 0.09025(17) 0.2235(2) 0.0126(6) Uani d . . . 1 . .
N N2 -0.1062(2) 0.16498(15) 0.4472(2) 0.0141(6) Uani d . . . 1 . .
O O1 0.14029(16) 0.12380(13) 0.51332(18) 0.0160(5) Uani d . . . 1 . .
O O2 0.14516(18) -0.00481(12) 0.54891(19) 0.0195(5) Uani d . . . 1 . .
O O3 0 0 0.3909(3) 0.0136(7) Uani d T P S 1 . .
Rh Rh1 0.03314(2) 0.12905(2) 0.35583(2) 0.01025(9) Uani d . . . 1 . .
H H1 0.137(3) 0.048(2) 0.219(3) 0.015 Uiso d U . . 1 . .
H H3 0.056(4) -0.003(3) 0.446(4) 0.077(18) Uiso d . . . 1 . .
H H2 -0.118(3) 0.131(2) 0.502(3) 0.015(8) Uiso d . . . 1 . .


_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_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
C1 C2 . 1.382(4) ?
C1 C6 . 1.402(4) ?
C1 Rh1 . 1.919(3) ?
C2 C3 . 1.401(4) ?
C2 C9 . 1.500(4) ?
C3 C4 . 1.396(5) ?
C3 C7 . 1.500(4) ?
C4 C5 . 1.390(5) ?
C4 H4 . 0.95 ?
C5 C6 . 1.398(5) ?
C5 C8 . 1.505(4) ?
C6 C18 . 1.501(4) ?
C7 H7A . 0.98 ?
C7 H7B . 0.98 ?
C7 H7C . 0.98 ?
C8 H8A . 0.98 ?
C8 H8B . 0.98 ?
C8 H8C . 0.98 ?
C9 N1 . 1.508(4) ?
C9 H9A . 0.99 ?
C9 H9B . 0.99 ?
C10 C11 . 1.515(4) ?
C10 H10A . 0.98 ?
C10 H10B . 0.98 ?
C10 H10C . 0.98 ?
C11 N1 . 1.525(4) ?
C11 C12 . 1.518(4) ?
C11 H11 . 1.0 ?
C12 C17 . 1.373(5) ?
C12 C13 . 1.389(5) ?
C13 C14 . 1.389(5) ?
C13 H13 . 0.95 ?
C14 C15 . 1.386(5) ?
C14 H14 . 0.95 ?
C15 C16 . 1.362(5) ?
C15 H15 . 0.95 ?
C16 C17 . 1.399(5) ?
C16 H16 . 0.95 ?
C17 H17 . 0.95 ?
C18 N2 . 1.516(4) ?
C18 H18A . 0.99 ?
C18 H18B . 0.99 ?
C19 C20 . 1.514(5) ?
C19 H19A . 0.98 ?
C19 H19B . 0.98 ?
C19 H19C . 0.98 ?
C20 N2 . 1.508(4) ?
C20 C21 . 1.505(4) ?
C20 H20 . 1.0 ?
C21 C26 . 1.408(4) ?
C21 C22 . 1.405(4) ?
C22 C23 . 1.395(4) ?
C22 Rh1 . 1.985(3) ?
C23 C24 . 1.381(5) ?
C23 H23 . 0.95 ?
C24 C25 . 1.377(5) ?
C24 H24 . 0.95 ?
C25 C26 . 1.384(5) ?
C25 H25 . 0.95 ?
C26 H26 . 0.95 ?
C27 O1 . 1.255(4) ?
C27 O2 . 1.263(4) ?
C27 C28 . 1.503(4) ?
C28 H28A . 0.98 ?
C28 H28B . 0.98 ?
C28 H28C . 0.98 ?
N1 Rh1 . 2.138(3) ?
N1 H1 . 0.74(4) ?
N2 Rh1 . 2.104(3) ?
N2 H2 . 0.87(4) ?
O1 Rh1 . 2.234(2) ?
O3 Rh1 . 2.2807(6) ?
O3 Rh1 2 2.2807(6) ?
O3 H3 . 0.94(5) ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C2 C1 C6 . . 121.6(3) ?
C2 C1 Rh1 . . 119.2(2) ?
C6 C1 Rh1 . . 119.2(2) ?
C1 C2 C3 . . 120.2(3) ?
C1 C2 C9 . . 115.4(3) ?
C3 C2 C9 . . 124.0(3) ?
C4 C3 C2 . . 117.5(3) ?
C4 C3 C7 . . 120.7(3) ?
C2 C3 C7 . . 121.7(3) ?
C3 C4 C5 . . 123.3(3) ?
C3 C4 H4 . . 118.4 ?
C5 C4 H4 . . 118.4 ?
C4 C5 C6 . . 118.4(3) ?
C4 C5 C8 . . 120.6(3) ?
C6 C5 C8 . . 121.1(3) ?
C1 C6 C5 . . 119.1(3) ?
C1 C6 C18 . . 115.5(3) ?
C5 C6 C18 . . 125.4(3) ?
C3 C7 H7A . . 109.5 ?
C3 C7 H7B . . 109.5 ?
H7A C7 H7B . . 109.5 ?
C3 C7 H7C . . 109.5 ?
H7A C7 H7C . . 109.5 ?
H7B C7 H7C . . 109.5 ?
C5 C8 H8A . . 109.5 ?
C5 C8 H8B . . 109.5 ?
H8A C8 H8B . . 109.5 ?
C5 C8 H8C . . 109.5 ?
H8A C8 H8C . . 109.5 ?
H8B C8 H8C . . 109.5 ?
C2 C9 N1 . . 109.5(3) ?
C2 C9 H9A . . 109.8 ?
N1 C9 H9A . . 109.8 ?
C2 C9 H9B . . 109.8 ?
N1 C9 H9B . . 109.8 ?
H9A C9 H9B . . 108.2 ?
C11 C10 H10A . . 109.5 ?
C11 C10 H10B . . 109.5 ?
H10A C10 H10B . . 109.5 ?
C11 C10 H10C . . 109.5 ?
H10A C10 H10C . . 109.5 ?
H10B C10 H10C . . 109.5 ?
C10 C11 N1 . . 109.0(3) ?
C10 C11 C12 . . 111.9(2) ?
N1 C11 C12 . . 112.8(2) ?
C10 C11 H11 . . 107.6 ?
N1 C11 H11 . . 107.6 ?
C12 C11 H11 . . 107.6 ?
C17 C12 C13 . . 118.7(3) ?
C17 C12 C11 . . 121.0(3) ?
C13 C12 C11 . . 120.2(3) ?
C14 C13 C12 . . 120.4(3) ?
C14 C13 H13 . . 119.8 ?
C12 C13 H13 . . 119.8 ?
C15 C14 C13 . . 120.1(3) ?
C15 C14 H14 . . 120.0 ?
C13 C14 H14 . . 120.0 ?
C16 C15 C14 . . 119.7(3) ?
C16 C15 H15 . . 120.1 ?
C14 C15 H15 . . 120.1 ?
C15 C16 C17 . . 120.1(3) ?
C15 C16 H16 . . 119.9 ?
C17 C16 H16 . . 119.9 ?
C12 C17 C16 . . 120.8(3) ?
C12 C17 H17 . . 119.6 ?
C16 C17 H17 . . 119.6 ?
C6 C18 N2 . . 111.1(3) ?
C6 C18 H18A . . 109.4 ?
N2 C18 H18A . . 109.4 ?
C6 C18 H18B . . 109.4 ?
N2 C18 H18B . . 109.4 ?
H18A C18 H18B . . 108.0 ?
C20 C19 H19A . . 109.5 ?
C20 C19 H19B . . 109.5 ?
H19A C19 H19B . . 109.5 ?
C20 C19 H19C . . 109.5 ?
H19A C19 H19C . . 109.5 ?
H19B C19 H19C . . 109.5 ?
N2 C20 C21 . . 107.8(2) ?
N2 C20 C19 . . 109.2(2) ?
C21 C20 C19 . . 112.7(3) ?
N2 C20 H20 . . 109.0 ?
C21 C20 H20 . . 109.0 ?
C19 C20 H20 . . 109.0 ?
C26 C21 C22 . . 120.8(3) ?
C26 C21 C20 . . 120.2(3) ?
C22 C21 C20 . . 118.9(3) ?
C23 C22 C21 . . 117.1(3) ?
C23 C22 Rh1 . . 128.9(2) ?
C21 C22 Rh1 . . 113.7(2) ?
C24 C23 C22 . . 121.9(3) ?
C24 C23 H23 . . 119.1 ?
C22 C23 H23 . . 119.1 ?
C25 C24 C23 . . 120.6(3) ?
C25 C24 H24 . . 119.7 ?
C23 C24 H24 . . 119.7 ?
C24 C25 C26 . . 119.5(3) ?
C24 C25 H25 . . 120.2 ?
C26 C25 H25 . . 120.2 ?
C25 C26 C21 . . 120.0(3) ?
C25 C26 H26 . . 120.0 ?
C21 C26 H26 . . 120.0 ?
O1 C27 O2 . . 125.4(3) ?
O1 C27 C28 . . 116.7(3) ?
O2 C27 C28 . . 117.9(3) ?
C27 C28 H28A . . 109.5 ?
C27 C28 H28B . . 109.5 ?
H28A C28 H28B . . 109.5 ?
C27 C28 H28C . . 109.5 ?
H28A C28 H28C . . 109.5 ?
H28B C28 H28C . . 109.5 ?
C9 N1 C11 . . 113.3(3) ?
C9 N1 Rh1 . . 108.79(18) ?
C11 N1 Rh1 . . 121.6(2) ?
C9 N1 H1 . . 98.(3) ?
C11 N1 H1 . . 105.(3) ?
Rh1 N1 H1 . . 107.(3) ?
C20 N2 C18 . . 112.4(2) ?
C20 N2 Rh1 . . 109.78(19) ?
C18 N2 Rh1 . . 110.90(19) ?
C20 N2 H2 . . 109.(2) ?
C18 N2 H2 . . 107.(2) ?
Rh1 N2 H2 . . 108.(2) ?
C27 O1 Rh1 . . 128.4(2) ?
Rh1 O3 Rh1 . 2 159.76(15) ?
Rh1 O3 H3 . . 92.(3) ?
Rh1 O3 H3 2 . 101.(4) ?
C1 Rh1 C22 . . 91.16(13) ?
C1 Rh1 N2 . . 82.56(12) ?
C22 Rh1 N2 . . 82.01(11) ?
C1 Rh1 N1 . . 81.49(12) ?
C22 Rh1 N1 . . 100.15(12) ?
N2 Rh1 N1 . . 163.94(10) ?
C1 Rh1 O1 . . 178.12(10) ?
C22 Rh1 O1 . . 89.04(11) ?
N2 Rh1 O1 . . 95.62(9) ?
N1 Rh1 O1 . . 100.32(9) ?
C1 Rh1 O3 . . 93.85(11) ?
C22 Rh1 O3 . . 172.26(12) ?
N2 Rh1 O3 . . 92.79(8) ?
N1 Rh1 O3 . . 86.43(10) ?
O1 Rh1 O3 . . 85.76(8) ?

####################################################################### 
# 
# 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_4_fuku04
_database_code_depnum_ccdc_archive 'CCDC 1507455'
_audit_update_record             
;
2016-09-30 deposited with the CCDC.	2019-09-18 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C32 H42 N2 O4.50 Rh'
_chemical_formula_weight         629.59

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'

_cell_length_a                   8.797(4)
_cell_length_b                   12.138(5)
_cell_length_c                   15.509(6)
_cell_angle_alpha                89.798(7)
_cell_angle_beta                 86.468(7)
_cell_angle_gamma                70.434(7)
_cell_volume                     1557.2(11)
_cell_formula_units_Z            2
_cell_measurement_temperature    123(2)
_cell_measurement_reflns_used    5049
_cell_measurement_theta_min      2.23
_cell_measurement_theta_max      28.22

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.30
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.343
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             658
_exptl_absorpt_coefficient_mu    0.587
_exptl_absorpt_correction_type   Empirical
_exptl_absorpt_correction_T_min  0.746925
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      123(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  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean 8.366
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            11142
_diffrn_reflns_av_R_equivalents  0.0361
_diffrn_reflns_av_sigmaI/netI    0.0646
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         2.23
_diffrn_reflns_theta_max         28.22
_reflns_number_total             8980
_reflns_number_gt                8855
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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)+(0.0528P)²+0.0429P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_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   -0.016(18)
_chemical_absolute_configuration rm
_refine_ls_number_reflns         8980
_refine_ls_number_parameters     735
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0352
_refine_ls_R_factor_gt           0.0348
_refine_ls_wR_factor_ref         0.0905
_refine_ls_wR_factor_gt          0.0900
_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
C1 C 0.7307(4) 0.6962(3) 0.69768(19) 0.0181(6) Uani 1 1 d . . .
C2 C 0.6368(4) 0.6409(3) 0.6597(2) 0.0202(6) Uani 1 1 d . . .
C3 C 0.5608(4) 0.6900(3) 0.5845(2) 0.0236(6) Uani 1 1 d . . .
C4 C 0.5846(4) 0.7911(3) 0.5535(2) 0.0256(7) Uani 1 1 d . . .
H4 H 0.5351 0.8235 0.5022 0.031 Uiso 1 1 calc R . .
C5 C 0.6765(4) 0.8475(3) 0.5931(2) 0.0249(7) Uani 1 1 d . . .
C6 C 0.7527(4) 0.7975(3) 0.6680(2) 0.0210(6) Uani 1 1 d . . .
C7 C 0.4558(5) 0.6360(4) 0.5393(2) 0.0305(8) Uani 1 1 d . . .
H7A H 0.4117 0.6833 0.4895 0.046 Uiso 1 1 calc R . .
H7B H 0.3668 0.6329 0.5794 0.046 Uiso 1 1 calc R . .
H7C H 0.5204 0.5566 0.5195 0.046 Uiso 1 1 calc R . .
C8 C 0.6865(6) 0.9628(4) 0.5607(3) 0.0359(9) Uani 1 1 d . . .
H8A H 0.6457 0.9767 0.5029 0.054 Uiso 1 1 calc R . .
H8B H 0.7993 0.9601 0.5582 0.054 Uiso 1 1 calc R . .
H8C H 0.6210 1.0261 0.6001 0.054 Uiso 1 1 calc R . .
C9 C 0.6291(4) 0.5308(3) 0.7029(2) 0.0224(6) Uani 1 1 d . . .
H9A H 0.5162 0.5311 0.7069 0.027 Uiso 1 1 calc R . .
H9B H 0.6962 0.4614 0.6682 0.027 Uiso 1 1 calc R . .
C10 C 0.8518(5) 0.8467(3) 0.7223(2) 0.0244(7) Uani 1 1 d . . .
H10A H 0.7796 0.9133 0.7581 0.029 Uiso 1 1 calc R . .
H10B H 0.9248 0.8754 0.6845 0.029 Uiso 1 1 calc R . .
C11 C 0.8366(5) 0.4032(3) 0.9069(2) 0.0288(7) Uani 1 1 d . . .
H11A H 0.9208 0.4393 0.8988 0.043 Uiso 1 1 calc R . .
H11B H 0.8848 0.3228 0.9264 0.043 Uiso 1 1 calc R . .
H11C H 0.7537 0.4482 0.9504 0.043 Uiso 1 1 calc R . .
C12 C 0.7593(4) 0.4023(3) 0.8211(2) 0.0207(6) Uani 1 1 d . . .
H12 H 0.8448 0.3568 0.7770 0.025 Uiso 1 1 calc R . .
C13 C 0.6317(4) 0.3440(3) 0.8329(2) 0.0220(6) Uani 1 1 d . . .
C14 C 0.4851(5) 0.3980(3) 0.8808(2) 0.0262(7) Uani 1 1 d . . .
H14 H 0.4609 0.4752 0.9031 0.031 Uiso 1 1 calc R . .
C15 C 0.3751(5) 0.3398(4) 0.8959(3) 0.0312(8) Uani 1 1 d . . .
H15 H 0.2755 0.3774 0.9280 0.037 Uiso 1 1 calc R . .
C16 C 0.4100(5) 0.2271(4) 0.8644(3) 0.0345(8) Uani 1 1 d . . .
H16 H 0.3355 0.1867 0.8758 0.041 Uiso 1 1 calc R . .
C17 C 0.5526(6) 0.1736(4) 0.8164(3) 0.0361(9) Uani 1 1 d . . .
H17 H 0.5758 0.0963 0.7946 0.043 Uiso 1 1 calc R . .
C18 C 0.6636(5) 0.2315(3) 0.7995(3) 0.0290(7) Uani 1 1 d . . .
H18 H 0.7607 0.1945 0.7652 0.035 Uiso 1 1 calc R . .
C19 C 1.0973(5) 0.7003(3) 0.9116(2) 0.0285(7) Uani 1 1 d . . .
H19A H 1.2011 0.6596 0.8802 0.043 Uiso 1 1 calc R . .
H19B H 1.0378 0.6457 0.9221 0.043 Uiso 1 1 calc R . .
H19C H 1.1164 0.7306 0.9669 0.043 Uiso 1 1 calc R . .
C20 C 0.9986(4) 0.8015(3) 0.8580(2) 0.0233(7) Uani 1 1 d . . .
H20 H 0.8990 0.8482 0.8934 0.028 Uiso 1 1 calc R . .
C21 C 1.0917(4) 0.8816(3) 0.8289(2) 0.0225(7) Uani 1 1 d . . .
C22 C 1.2339(4) 0.8391(3) 0.7755(2) 0.0247(7) Uani 1 1 d . . .
H22 H 1.2772 0.7581 0.7611 0.030 Uiso 1 1 calc R . .
C23 C 1.3117(4) 0.9133(3) 0.7435(2) 0.0275(7) Uani 1 1 d . . .
H23 H 1.4082 0.8833 0.7074 0.033 Uiso 1 1 calc R . .
C24 C 1.2493(5) 1.0325(4) 0.7639(3) 0.0312(8) Uani 1 1 d . . .
H24 H 1.3025 1.0839 0.7417 0.037 Uiso 1 1 calc R . .
C25 C 1.1090(5) 1.0751(4) 0.8167(3) 0.0316(9) Uani 1 1 d . . .
H25 H 1.0649 1.1564 0.8300 0.038 Uiso 1 1 calc R . .
C26 C 1.0320(5) 1.0001(3) 0.8504(3) 0.0274(8) Uani 1 1 d . . .
H26 H 0.9379 1.0300 0.8883 0.033 Uiso 1 1 calc R . .
C27 C 1.1502(4) 0.4896(3) 0.7065(2) 0.0256(7) Uani 1 1 d . . .
C28 C 1.2502(5) 0.3723(3) 0.6661(3) 0.0375(9) Uani 1 1 d . . .
H28A H 1.2443 0.3758 0.6032 0.056 Uiso 1 1 calc R . .
H28B H 1.2082 0.3118 0.6885 0.056 Uiso 1 1 calc R . .
H28C H 1.3630 0.3532 0.6804 0.056 Uiso 1 1 calc R . .
C29 C 0.5423(4) 0.7558(3) 0.9156(2) 0.0204(6) Uani 1 1 d . . .
C30 C 0.4474(4) 0.8665(3) 0.9658(2) 0.0281(7) Uani 1 1 d . . .
H30A H 0.3342 0.8916 0.9512 0.042 Uiso 1 1 calc R . .
H30B H 0.4930 0.9281 0.9510 0.042 Uiso 1 1 calc R . .
H30C H 0.4536 0.8516 1.0279 0.042 Uiso 1 1 calc R . .
C31 C 0.0547(4) 0.3982(3) 0.31179(19) 0.0182(6) Uani 1 1 d . . .
C32 C -0.0600(4) 0.3456(3) 0.3310(2) 0.0194(6) Uani 1 1 d . . .
C33 C -0.1438(4) 0.3670(3) 0.4127(2) 0.0234(6) Uani 1 1 d . . .
C34 C -0.1094(5) 0.4443(3) 0.4682(2) 0.0253(7) Uani 1 1 d . . .
H34 H -0.1675 0.4616 0.5230 0.030 Uiso 1 1 calc R . .
C35 C 0.0056(4) 0.4979(3) 0.4477(2) 0.0234(7) Uani 1 1 d . . .
C36 C 0.0926(4) 0.4713(3) 0.3676(2) 0.0195(6) Uani 1 1 d . . .
C37 C -0.2691(5) 0.3118(4) 0.4385(3) 0.0325(8) Uani 1 1 d . . .
H37A H -0.3117 0.3356 0.4979 0.049 Uiso 1 1 calc R . .
H37B H -0.2198 0.2265 0.4348 0.049 Uiso 1 1 calc R . .
H37C H -0.3574 0.3374 0.3995 0.049 Uiso 1 1 calc R . .
C38 C 0.0347(6) 0.5828(4) 0.5100(2) 0.0308(8) Uani 1 1 d . . .
H38A H 0.1485 0.5550 0.5236 0.046 Uiso 1 1 calc R . .
H38B H -0.0339 0.5885 0.5632 0.046 Uiso 1 1 calc R . .
H38C H 0.0084 0.6599 0.4837 0.046 Uiso 1 1 calc R . .
C39 C -0.0888(4) 0.2733(3) 0.2581(2) 0.0224(6) Uani 1 1 d . . .
H39A H -0.1012 0.2004 0.2811 0.027 Uiso 1 1 calc R . .
H39B H -0.1891 0.3180 0.2306 0.027 Uiso 1 1 calc R . .
C40 C 0.2304(4) 0.5120(3) 0.3359(2) 0.0214(6) Uani 1 1 d . . .
H40A H 0.2074 0.5944 0.3540 0.026 Uiso 1 1 calc R . .
H40B H 0.3315 0.4636 0.3611 0.026 Uiso 1 1 calc R . .
C41 C 0.1635(5) 0.1879(4) 0.0457(2) 0.0339(8) Uani 1 1 d . . .
H41A H 0.2384 0.1140 0.0657 0.051 Uiso 1 1 calc R . .
H41B H 0.2136 0.2487 0.0479 0.051 Uiso 1 1 calc R . .
H41C H 0.1384 0.1777 -0.0138 0.051 Uiso 1 1 calc R . .
C42 C 0.0081(5) 0.2240(3) 0.1040(2) 0.0220(7) Uani 1 1 d . . .
H42 H -0.0654 0.3000 0.0829 0.026 Uiso 1 1 calc R . .
C43 C -0.0776(4) 0.1353(3) 0.0998(2) 0.0213(6) Uani 1 1 d . . .
C44 C -0.0027(5) 0.0186(3) 0.1221(3) 0.0303(8) Uani 1 1 d . . .
H44 H 0.1025 -0.0054 0.1430 0.036 Uiso 1 1 calc R . .
C45 C -0.0814(6) -0.0620(4) 0.1137(3) 0.0405(10) Uani 1 1 d . . .
H45 H -0.0301 -0.1412 0.1286 0.049 Uiso 1 1 calc R . .
C46 C -0.2347(7) -0.0268(4) 0.0836(3) 0.0462(11) Uani 1 1 d . . .
H46 H -0.2882 -0.0824 0.0781 0.055 Uiso 1 1 calc R . .
C47 C -0.3117(6) 0.0882(4) 0.0614(3) 0.0428(10) Uani 1 1 d . . .
H47 H -0.4169 0.1117 0.0405 0.051 Uiso 1 1 calc R . .
C48 C -0.2313(5) 0.1688(4) 0.0702(3) 0.0328(8) Uani 1 1 d . . .
H48 H -0.2832 0.2481 0.0555 0.039 Uiso 1 1 calc R . .
C49 C 0.4220(5) 0.4823(3) 0.1057(2) 0.0316(8) Uani 1 1 d . . .
H49A H 0.3958 0.4128 0.0904 0.047 Uiso 1 1 calc R . .
H49B H 0.5313 0.4740 0.0821 0.047 Uiso 1 1 calc R . .
H49C H 0.3442 0.5518 0.0817 0.047 Uiso 1 1 calc R . .
C50 C 0.4139(4) 0.4955(3) 0.2038(2) 0.0207(6) Uani 1 1 d . . .
H50 H 0.4941 0.4237 0.2266 0.025 Uiso 1 1 calc R . .
C51 C 0.4566(4) 0.6001(3) 0.2323(2) 0.0203(6) Uani 1 1 d . . .
C52 C 0.3687(5) 0.7136(3) 0.2064(3) 0.0274(7) Uani 1 1 d . . .
H52 H 0.2804 0.7258 0.1710 0.033 Uiso 1 1 calc R . .
C53 C 0.4110(6) 0.8070(3) 0.2326(3) 0.0371(10) Uani 1 1 d . . .
H53 H 0.3529 0.8834 0.2142 0.045 Uiso 1 1 calc R . .
C54 C 0.5375(5) 0.7905(3) 0.2856(3) 0.0375(9) Uani 1 1 d . . .
H54 H 0.5635 0.8558 0.3049 0.045 Uiso 1 1 calc R . .
C55 C 0.6263(5) 0.6788(4) 0.3106(3) 0.0349(9) Uani 1 1 d . . .
H55 H 0.7155 0.6671 0.3453 0.042 Uiso 1 1 calc R . .
C56 C 0.5841(4) 0.5846(3) 0.2846(2) 0.0254(7) Uani 1 1 d . . .
H56 H 0.6433 0.5083 0.3029 0.031 Uiso 1 1 calc R . .
C57 C -0.0697(4) 0.5880(3) 0.1310(2) 0.0225(6) Uani 1 1 d . . .
C58 C -0.2208(4) 0.6407(3) 0.0832(2) 0.0252(7) Uani 1 1 d . . .
H58A H -0.2994 0.7028 0.1189 0.038 Uiso 1 1 calc R . .
H58B H -0.2672 0.5800 0.0707 0.038 Uiso 1 1 calc R . .
H58C H -0.1938 0.6735 0.0289 0.038 Uiso 1 1 calc R . .
C59 C 0.4159(5) 0.1525(3) 0.2612(2) 0.0279(7) Uani 1 1 d . . .
C60 C 0.5796(6) 0.1030(4) 0.2989(4) 0.0430(11) Uani 1 1 d . . .
H60A H 0.5716 0.1307 0.3588 0.065 Uiso 1 1 calc R . .
H60B H 0.6585 0.1291 0.2649 0.065 Uiso 1 1 calc R . .
H60C H 0.6144 0.0174 0.2972 0.065 Uiso 1 1 calc R . .
N1 N 0.6900(4) 0.5251(3) 0.7919(2) 0.0185(6) Uani 1 1 d . . .
N2 N 0.9496(4) 0.7523(3) 0.7798(2) 0.0205(6) Uani 1 1 d . . .
N3 N 0.0517(4) 0.2446(3) 0.1933(2) 0.0195(7) Uani 1 1 d . . .
N4 N 0.2500(4) 0.5013(3) 0.2388(2) 0.0175(5) Uani 1 1 d . . .
O1 O 1.0070(3) 0.4950(2) 0.73579(16) 0.0234(5) Uani 1 1 d . . .
O2 O 1.2065(3) 0.5690(2) 0.70765(18) 0.0308(5) Uani 1 1 d . . .
O3 O 0.6712(3) 0.7603(2) 0.87268(15) 0.0213(4) Uani 1 1 d . . .
O4 O 0.4956(3) 0.6717(2) 0.91932(17) 0.0289(5) Uani 1 1 d . . .
O5 O -0.0272(3) 0.4763(2) 0.14046(16) 0.0229(5) Uani 1 1 d . . .
O6 O 0.0024(4) 0.6507(2) 0.1561(2) 0.0376(7) Uani 1 1 d . . .
O7 O 0.3721(3) 0.2635(2) 0.24913(16) 0.0234(5) Uani 1 1 d . . .
O8 O 0.3386(4) 0.0892(2) 0.2436(3) 0.0457(8) Uani 1 1 d . . .
C61 C -0.0570(14) -0.1597(10) 0.3421(7) 0.047(2) Uiso 0.500(11) 1 d P A 1
C62 C -0.0014(14) -0.0654(10) 0.3726(7) 0.047(3) Uiso 0.500(11) 1 d P A 1
O9 O 0.0374(18) 0.0112(12) 0.4539(9) 0.104(4) Uiso 0.500(11) 1 d P A 1
C63 C 0.120(4) 0.100(3) 0.524(2) 0.134(9) Uiso 0.500(11) 1 d P A 1
C64 C -0.002(4) 0.162(3) 0.589(2) 0.137(9) Uiso 0.500(11) 1 d P A 1
C61A C -0.014(3) -0.1196(19) 0.3551(13) 0.089(5) Uiso 0.500(11) 1 d P A 2
C62A C 0.1052(17) -0.1062(11) 0.4360(8) 0.061(3) Uiso 0.500(11) 1 d P A 2
O9A O 0.1444(15) 0.0022(10) 0.4981(7) 0.081(3) Uiso 0.500(11) 1 d P A 2
C63A C 0.2194(18) 0.0638(12) 0.4474(9) 0.064(3) Uiso 0.500(11) 1 d P A 2
C64A C 0.242(2) 0.1594(14) 0.4960(10) 0.075(4) Uiso 0.500(11) 1 d P A 2
Rh1 Rh 0.833625(19) 0.630479(15) 0.799359(12) 0.01703(7) Uani 1 1 d . . .
Rh2 Rh 0.166013(17) 0.369706(13) 0.200740(11) 0.01572(7) Uani 1 1 d . . .
H103 H 0.200(6) 0.545(4) 0.221(3) 0.025(13) Uiso 1 1 d . . .
H104 H 0.131(5) 0.184(3) 0.213(2) 0.011(9) Uiso 1 1 d . . .
H101 H 1.023(6) 0.717(4) 0.756(3) 0.017 Uiso 1 1 d . . .
H100 H 0.611(6) 0.568(4) 0.835(3) 0.019(10) Uiso 1 1 d . . .


_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 C6 1.380(5) . ?
C1 C2 1.384(5) . ?
C1 Rh1 1.904(3) . ?
C2 C3 1.408(4) . ?
C2 C9 1.513(5) . ?
C3 C4 1.391(5) . ?
C3 C7 1.504(5) . ?
C4 C5 1.391(5) . ?
C5 C6 1.410(5) . ?
C5 C8 1.513(5) . ?
C6 C10 1.506(5) . ?
C9 N1 1.504(4) . ?
C10 N2 1.507(4) . ?
C11 C12 1.534(4) . ?
C12 N1 1.490(4) . ?
C12 C13 1.517(5) . ?
C13 C18 1.393(5) . ?
C13 C14 1.401(5) . ?
C14 C15 1.386(5) . ?
C15 C16 1.381(6) . ?
C16 C17 1.376(6) . ?
C17 C18 1.394(6) . ?
C19 C20 1.523(5) . ?
C20 N2 1.502(5) . ?
C20 C21 1.518(5) . ?
C21 C26 1.389(5) . ?
C21 C22 1.400(5) . ?
C22 C23 1.375(5) . ?
C23 C24 1.394(5) . ?
C24 C25 1.383(6) . ?
C25 C26 1.387(6) . ?
C27 O2 1.224(5) . ?
C27 O1 1.293(5) . ?
C27 C28 1.514(5) . ?
C29 O4 1.221(5) . ?
C29 O3 1.296(4) . ?
C29 C30 1.512(5) . ?
C31 C36 1.374(4) . ?
C31 C32 1.381(5) . ?
C31 Rh2 1.901(3) . ?
C32 C33 1.406(5) . ?
C32 C39 1.517(4) . ?
C33 C34 1.394(5) . ?
C33 C37 1.503(5) . ?
C34 C35 1.395(5) . ?
C35 C36 1.397(5) . ?
C35 C38 1.508(5) . ?
C36 C40 1.511(5) . ?
C39 N3 1.490(5) . ?
C40 N4 1.505(4) . ?
C41 C42 1.526(5) . ?
C42 N3 1.503(5) . ?
C42 C43 1.510(5) . ?
C43 C48 1.383(5) . ?
C43 C44 1.400(5) . ?
C44 C45 1.386(6) . ?
C45 C46 1.382(7) . ?
C46 C47 1.385(7) . ?
C47 C48 1.398(6) . ?
C49 C50 1.524(5) . ?
C50 N4 1.488(4) . ?
C50 C51 1.514(5) . ?
C51 C56 1.386(5) . ?
C51 C52 1.407(5) . ?
C52 C53 1.375(6) . ?
C53 C54 1.384(6) . ?
C54 C55 1.386(6) . ?
C55 C56 1.384(5) . ?
C57 O6 1.220(4) . ?
C57 O5 1.292(4) . ?
C57 C58 1.508(5) . ?
C59 O8 1.226(5) . ?
C59 O7 1.287(4) . ?
C59 C60 1.516(5) . ?
N1 Rh1 2.085(3) . ?
N2 Rh1 2.072(3) . ?
N3 Rh2 2.090(3) . ?
N4 Rh2 2.073(3) . ?
O1 Rh1 2.037(2) . ?
O3 Rh1 2.030(2) . ?
O5 Rh2 2.037(2) . ?
O7 Rh2 2.026(2) . ?
C61 C62 1.477(16) . ?
C62 O9 1.687(18) . ?
O9 C63 1.86(3) . ?
C63 C64 1.44(4) . ?
C61A C62A 1.72(3) . ?
C62A O9A 1.769(18) . ?
O9A C63A 1.370(19) . ?
C63A C64A 1.46(2) . ?

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
C6 C1 C2 124.5(3) . . ?
C6 C1 Rh1 117.4(2) . . ?
C2 C1 Rh1 118.1(2) . . ?
C1 C2 C3 117.8(3) . . ?
C1 C2 C9 115.8(3) . . ?
C3 C2 C9 126.3(3) . . ?
C4 C3 C2 117.9(3) . . ?
C4 C3 C7 120.7(3) . . ?
C2 C3 C7 121.4(3) . . ?
C5 C4 C3 123.9(3) . . ?
C4 C5 C6 117.8(3) . . ?
C4 C5 C8 121.5(3) . . ?
C6 C5 C8 120.6(3) . . ?
C1 C6 C5 118.0(3) . . ?
C1 C6 C10 115.7(3) . . ?
C5 C6 C10 126.3(3) . . ?
N1 C9 C2 109.3(3) . . ?
C6 C10 N2 109.2(3) . . ?
N1 C12 C13 111.9(3) . . ?
N1 C12 C11 108.5(3) . . ?
C13 C12 C11 109.6(3) . . ?
C18 C13 C14 118.8(3) . . ?
C18 C13 C12 119.6(3) . . ?
C14 C13 C12 121.5(3) . . ?
C15 C14 C13 120.6(3) . . ?
C16 C15 C14 120.1(4) . . ?
C17 C16 C15 120.0(4) . . ?
C16 C17 C18 120.7(4) . . ?
C13 C18 C17 119.8(4) . . ?
N2 C20 C21 109.0(3) . . ?
N2 C20 C19 108.6(3) . . ?
C21 C20 C19 112.7(3) . . ?
C26 C21 C22 118.7(4) . . ?
C26 C21 C20 120.5(3) . . ?
C22 C21 C20 120.7(3) . . ?
C23 C22 C21 120.8(3) . . ?
C22 C23 C24 120.2(4) . . ?
C25 C24 C23 119.3(4) . . ?
C24 C25 C26 120.6(4) . . ?
C25 C26 C21 120.4(4) . . ?
O2 C27 O1 126.2(3) . . ?
O2 C27 C28 119.8(3) . . ?
O1 C27 C28 114.0(3) . . ?
O4 C29 O3 126.1(3) . . ?
O4 C29 C30 119.5(3) . . ?
O3 C29 C30 114.5(3) . . ?
C36 C31 C32 124.1(3) . . ?
C36 C31 Rh2 117.6(2) . . ?
C32 C31 Rh2 118.3(2) . . ?
C31 C32 C33 118.6(3) . . ?
C31 C32 C39 115.3(3) . . ?
C33 C32 C39 126.0(3) . . ?
C34 C33 C32 117.2(3) . . ?
C34 C33 C37 121.2(3) . . ?
C32 C33 C37 121.6(3) . . ?
C33 C34 C35 123.6(3) . . ?
C34 C35 C36 118.2(3) . . ?
C34 C35 C38 121.0(3) . . ?
C36 C35 C38 120.8(3) . . ?
C31 C36 C35 118.1(3) . . ?
C31 C36 C40 115.2(3) . . ?
C35 C36 C40 126.6(3) . . ?
N3 C39 C32 108.9(3) . . ?
N4 C40 C36 109.1(3) . . ?
N3 C42 C43 113.9(3) . . ?
N3 C42 C41 107.4(3) . . ?
C43 C42 C41 111.5(3) . . ?
C48 C43 C44 119.0(3) . . ?
C48 C43 C42 119.4(3) . . ?
C44 C43 C42 121.5(3) . . ?
C45 C44 C43 120.2(4) . . ?
C46 C45 C44 119.8(4) . . ?
C45 C46 C47 121.1(4) . . ?
C46 C47 C48 118.6(4) . . ?
C43 C48 C47 121.2(4) . . ?
N4 C50 C51 111.9(3) . . ?
N4 C50 C49 108.7(3) . . ?
C51 C50 C49 112.3(3) . . ?
C56 C51 C52 119.1(3) . . ?
C56 C51 C50 119.9(3) . . ?
C52 C51 C50 121.0(3) . . ?
C53 C52 C51 119.8(4) . . ?
C52 C53 C54 120.6(4) . . ?
C53 C54 C55 120.1(4) . . ?
C56 C55 C54 119.5(4) . . ?
C55 C56 C51 120.9(3) . . ?
O6 C57 O5 125.7(3) . . ?
O6 C57 C58 119.7(3) . . ?
O5 C57 C58 114.7(3) . . ?
O8 C59 O7 125.5(3) . . ?
O8 C59 C60 121.1(3) . . ?
O7 C59 C60 113.4(3) . . ?
C12 N1 C9 111.8(3) . . ?
C12 N1 Rh1 117.0(2) . . ?
C9 N1 Rh1 109.9(2) . . ?
C20 N2 C10 112.3(3) . . ?
C20 N2 Rh1 117.7(2) . . ?
C10 N2 Rh1 108.8(2) . . ?
C39 N3 C42 112.8(3) . . ?
C39 N3 Rh2 109.7(2) . . ?
C42 N3 Rh2 114.5(2) . . ?
C50 N4 C40 112.9(3) . . ?
C50 N4 Rh2 117.2(2) . . ?
C40 N4 Rh2 108.3(2) . . ?
C27 O1 Rh1 128.3(2) . . ?
C29 O3 Rh1 127.0(2) . . ?
C57 O5 Rh2 128.1(2) . . ?
C59 O7 Rh2 128.6(2) . . ?
C61 C62 O9 150.4(10) . . ?
C62 O9 C63 165.6(15) . . ?
C64 C63 O9 110(2) . . ?
C61A C62A O9A 140.7(11) . . ?
C63A O9A C62A 110.6(10) . . ?
O9A C63A C64A 111.5(13) . . ?
C1 Rh1 O3 90.48(12) . . ?
C1 Rh1 O1 94.71(12) . . ?
O3 Rh1 O1 174.80(9) . . ?
C1 Rh1 N2 83.19(13) . . ?
O3 Rh1 N2 83.73(12) . . ?
O1 Rh1 N2 96.49(13) . . ?
C1 Rh1 N1 82.86(13) . . ?
O3 Rh1 N1 96.51(12) . . ?
O1 Rh1 N1 84.54(12) . . ?
N2 Rh1 N1 166.05(11) . . ?
C31 Rh2 O7 92.32(12) . . ?
C31 Rh2 O5 93.49(12) . . ?
O7 Rh2 O5 174.06(10) . . ?
C31 Rh2 N4 83.28(13) . . ?
O7 Rh2 N4 83.49(11) . . ?
O5 Rh2 N4 95.97(11) . . ?
C31 Rh2 N3 82.30(14) . . ?
O7 Rh2 N3 96.80(12) . . ?
O5 Rh2 N3 85.20(12) . . ?
N4 Rh2 N3 165.57(12) . . ?

_diffrn_measured_fraction_theta_max 0.972
_diffrn_reflns_theta_full        28.22
_diffrn_measured_fraction_theta_full 0.972
_refine_diff_density_max         1.259
_refine_diff_density_min         -0.470
_refine_diff_density_rms         0.106
####################################################################### 
# 
# 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_3b_ishi13
_database_code_depnum_ccdc_archive 'CCDC 1507454'
_audit_update_record             
;
2016-09-30 deposited with the CCDC.	2019-09-18 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C34 H35 Cl2 N2 Rh'
_chemical_formula_weight         645.45

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   C2

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

_cell_length_a                   20.2556(16)
_cell_length_b                   12.2123(10)
_cell_length_c                   13.0390(11)
_cell_angle_alpha                90.00
_cell_angle_beta                 111.6700(10)
_cell_angle_gamma                90.00
_cell_volume                     2997.5(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    153(2)
_cell_measurement_reflns_used    7069
_cell_measurement_theta_min      2.33
_cell_measurement_theta_max      28.28

_exptl_crystal_description       prism
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.430
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1328
_exptl_absorpt_coefficient_mu    0.774
_exptl_absorpt_correction_type   Empirical
_exptl_absorpt_correction_T_min  0.750759
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      153(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  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            11188
_diffrn_reflns_av_R_equivalents  0.0238
_diffrn_reflns_av_sigmaI/netI    0.0435
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         1.68
_diffrn_reflns_theta_max         28.31
_reflns_number_total             7310
_reflns_number_gt                7028
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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)+(0.0324P)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    mixed
_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   0.045(19)
_refine_ls_number_reflns         7310
_refine_ls_number_parameters     364
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0295
_refine_ls_R_factor_gt           0.0280
_refine_ls_wR_factor_ref         0.0677
_refine_ls_wR_factor_gt          0.0669
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_restrained_S_all      1.045
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_chemical_absolute_configuration rm

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 0.79616(12) 0.9208(2) 0.70813(19) 0.0233(4) Uani 1 1 d . . .
C2 C 0.72555(12) 0.89179(19) 0.6783(2) 0.0265(5) Uani 1 1 d . . .
C3 C 0.70800(14) 0.8203(2) 0.7474(2) 0.0323(5) Uani 1 1 d . . .
C4 C 0.76300(16) 0.7828(2) 0.8427(2) 0.0359(6) Uani 1 1 d . . .
H4 H 0.7511 0.7343 0.8901 0.043 Uiso 1 1 calc R . .
C5 C 0.83352(15) 0.8124(2) 0.8715(2) 0.0334(5) Uani 1 1 d . . .
C6 C 0.85073(13) 0.88414(19) 0.80108(19) 0.0273(5) Uani 1 1 d . . .
C7 C 0.63300(16) 0.7795(3) 0.7178(3) 0.0477(7) Uani 1 1 d . . .
H7A H 0.6001 0.8416 0.6965 0.072 Uiso 1 1 calc R . .
H7B H 0.6286 0.7424 0.7817 0.072 Uiso 1 1 calc R . .
H7C H 0.6215 0.7281 0.6560 0.072 Uiso 1 1 calc R . .
C8 C 0.88967(18) 0.7670(3) 0.9742(2) 0.0505(8) Uani 1 1 d . . .
H8A H 0.8670 0.7232 1.0152 0.076 Uiso 1 1 calc R . .
H8B H 0.9162 0.8274 1.0207 0.076 Uiso 1 1 calc R . .
H8C H 0.9223 0.7206 0.9537 0.076 Uiso 1 1 calc R . .
C9 C 0.67523(13) 0.9432(2) 0.5736(2) 0.0334(6) Uani 1 1 d . . .
H9A H 0.6496 1.0047 0.5916 0.040 Uiso 1 1 calc R . .
H9B H 0.6398 0.8885 0.5304 0.040 Uiso 1 1 calc R . .
C10 C 0.92392(14) 0.9232(2) 0.8144(2) 0.0336(6) Uani 1 1 d . . .
H10A H 0.9515 0.9399 0.8929 0.040 Uiso 1 1 calc R . .
H10B H 0.9492 0.8652 0.7904 0.040 Uiso 1 1 calc R . .
C11 C 0.72919(16) 1.1239(2) 0.3794(3) 0.0429(7) Uani 1 1 d . . .
H11A H 0.7679 1.1591 0.4395 0.064 Uiso 1 1 calc R . .
H11B H 0.7039 1.1789 0.3242 0.064 Uiso 1 1 calc R . .
H11C H 0.7487 1.0677 0.3450 0.064 Uiso 1 1 calc R . .
C12 C 0.67851(13) 1.0715(2) 0.4249(2) 0.0316(5) Uani 1 1 d . . .
H12 H 0.6611 1.1287 0.4638 0.038 Uiso 1 1 calc R . .
C13 C 0.61441(12) 1.0218(3) 0.33211(19) 0.0351(5) Uani 1 1 d . . .
C14 C 0.6254(2) 0.9414(3) 0.2686(3) 0.0611(10) Uani 1 1 d . . .
H14 H 0.6725 0.9162 0.2837 0.073 Uiso 1 1 calc R . .
C15 C 0.5692(2) 0.8943(4) 0.1811(4) 0.0933(18) Uani 1 1 d . . .
H15 H 0.5786 0.8382 0.1379 0.112 Uiso 1 1 calc R . .
C16 C 0.5015(2) 0.9284(3) 0.1580(4) 0.0919(18) Uani 1 1 d . . .
H16 H 0.4638 0.8959 0.0987 0.110 Uiso 1 1 calc R . .
C17 C 0.48688(15) 1.0107(3) 0.2207(3) 0.0515(7) Uani 1 1 d . . .
C18 C 0.41627(18) 1.0456(3) 0.1994(4) 0.0722(13) Uani 1 1 d . . .
H18 H 0.3784 1.0119 0.1413 0.087 Uiso 1 1 calc R . .
C19 C 0.40136(18) 1.1245(3) 0.2587(4) 0.0663(11) Uani 1 1 d . . .
H19 H 0.3536 1.1466 0.2426 0.080 Uiso 1 1 calc R . .
C20 C 0.45727(18) 1.1741(3) 0.3450(3) 0.0578(9) Uani 1 1 d . . .
H20 H 0.4470 1.2305 0.3871 0.069 Uiso 1 1 calc R . .
C21 C 0.52606(15) 1.1429(3) 0.3694(3) 0.0441(7) Uani 1 1 d . . .
H21 H 0.5628 1.1780 0.4280 0.053 Uiso 1 1 calc R . .
C22 C 0.54356(14) 1.0595(2) 0.3093(2) 0.0364(6) Uani 1 1 d . . .
C23 C 0.96609(15) 1.1425(3) 0.6396(2) 0.0517(9) Uani 1 1 d . . .
H23A H 0.9231 1.1285 0.5746 0.078 Uiso 1 1 calc R . .
H23B H 1.0064 1.1543 0.6163 0.078 Uiso 1 1 calc R . .
H23C H 0.9591 1.2078 0.6780 0.078 Uiso 1 1 calc R . .
C24 C 0.98126(12) 1.0445(2) 0.7170(2) 0.0360(7) Uani 1 1 d . . .
H24 H 0.9886 0.9790 0.6764 0.043 Uiso 1 1 calc R . .
C25 C 1.04802(13) 1.0605(2) 0.8197(2) 0.0322(5) Uani 1 1 d . . .
C26 C 1.04824(15) 1.1272(3) 0.9034(3) 0.0428(7) Uani 1 1 d . . .
H26 H 1.0063 1.1669 0.8953 0.051 Uiso 1 1 calc R . .
C27 C 1.10812(16) 1.1401(3) 1.0017(2) 0.0449(7) Uani 1 1 d . . .
H27 H 1.1060 1.1877 1.0581 0.054 Uiso 1 1 calc R . .
C28 C 1.16864(15) 1.0843(3) 1.0156(2) 0.0424(7) Uani 1 1 d . . .
H28 H 1.2087 1.0921 1.0823 0.051 Uiso 1 1 calc R . .
C29 C 1.17246(11) 1.0149(3) 0.93191(18) 0.0339(5) Uani 1 1 d . . .
C30 C 1.23510(15) 0.9553(3) 0.9450(3) 0.0467(8) Uani 1 1 d . . .
H30 H 1.2747 0.9601 1.0127 0.056 Uiso 1 1 calc R . .
C31 C 1.23957(16) 0.8923(3) 0.8636(3) 0.0536(8) Uani 1 1 d . . .
H31 H 1.2818 0.8521 0.8748 0.064 Uiso 1 1 calc R . .
C32 C 1.18275(17) 0.8852(3) 0.7625(3) 0.0474(7) Uani 1 1 d . . .
H32 H 1.1872 0.8423 0.7046 0.057 Uiso 1 1 calc R . .
C33 C 1.12081(15) 0.9399(2) 0.7465(2) 0.0372(6) Uani 1 1 d . . .
H33 H 1.0826 0.9343 0.6772 0.045 Uiso 1 1 calc R . .
C34 C 1.11239(12) 1.0043(2) 0.83059(18) 0.0288(5) Uani 1 1 d . . .
Cl1 Cl 0.78555(3) 1.17223(5) 0.68773(6) 0.03434(14) Uani 1 1 d . . .
Cl2 Cl 0.85931(3) 0.88079(5) 0.52911(5) 0.03586(14) Uani 1 1 d . . .
H1 H 0.727(2) 0.928(3) 0.473(3) 0.057(11) Uiso 1 1 d . . .
H2 H 0.9129(14) 1.074(2) 0.776(2) 0.009(6) Uiso 1 1 d . . .
N1 N 0.71707(11) 0.98450(17) 0.50666(18) 0.0273(4) Uani 1 1 d . . .
N2 N 0.91740(9) 1.0241(2) 0.74554(15) 0.0267(4) Uani 1 1 d . . .
Rh1 Rh 0.819957(7) 1.019049(16) 0.613912(12) 0.02280(5) Uani 1 1 d . . .


_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 C6 1.379(3) . ?
C1 C2 1.382(3) . ?
C1 Rh1 1.902(2) . ?
C2 C3 1.393(3) . ?
C2 C9 1.507(3) . ?
C3 C4 1.404(4) . ?
C3 C7 1.507(4) . ?
C4 C5 1.384(4) . ?
C5 C6 1.403(4) . ?
C5 C8 1.507(4) . ?
C6 C10 1.505(3) . ?
C9 N1 1.510(3) . ?
C10 N2 1.502(4) . ?
C11 C12 1.505(4) . ?
C12 N1 1.503(3) . ?
C12 C13 1.536(3) . ?
C13 C14 1.355(5) . ?
C13 C22 1.430(4) . ?
C14 C15 1.404(5) . ?
C15 C16 1.355(6) . ?
C16 C17 1.395(6) . ?
C17 C18 1.418(5) . ?
C17 C22 1.424(4) . ?
C18 C19 1.337(6) . ?
C19 C20 1.406(5) . ?
C20 C21 1.364(4) . ?
C21 C22 1.408(4) . ?
C23 C24 1.522(4) . ?
C24 N2 1.493(3) . ?
C24 C25 1.524(3) . ?
C25 C26 1.360(4) . ?
C25 C34 1.434(4) . ?
C26 C27 1.411(4) . ?
C27 C28 1.355(4) . ?
C28 C29 1.406(4) . ?
C29 C30 1.417(4) . ?
C29 C34 1.434(3) . ?
C30 C31 1.341(5) . ?
C31 C32 1.396(5) . ?
C32 C33 1.367(4) . ?
C33 C34 1.411(4) . ?
Cl1 Rh1 2.3254(7) . ?
Cl2 Rh1 2.3152(7) . ?
N1 Rh1 2.080(2) . ?
N2 Rh1 2.0841(17) . ?

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
C6 C1 C2 125.1(2) . . ?
C6 C1 Rh1 117.41(18) . . ?
C2 C1 Rh1 117.53(18) . . ?
C1 C2 C3 117.6(2) . . ?
C1 C2 C9 115.6(2) . . ?
C3 C2 C9 126.8(2) . . ?
C2 C3 C4 117.9(2) . . ?
C2 C3 C7 121.0(2) . . ?
C4 C3 C7 121.0(2) . . ?
C5 C4 C3 123.9(2) . . ?
C4 C5 C6 117.8(2) . . ?
C4 C5 C8 120.7(3) . . ?
C6 C5 C8 121.6(3) . . ?
C1 C6 C5 117.8(2) . . ?
C1 C6 C10 115.7(2) . . ?
C5 C6 C10 126.5(2) . . ?
C2 C9 N1 109.1(2) . . ?
N2 C10 C6 109.01(19) . . ?
N1 C12 C11 109.2(2) . . ?
N1 C12 C13 110.3(2) . . ?
C11 C12 C13 111.0(2) . . ?
C14 C13 C22 119.0(3) . . ?
C14 C13 C12 119.1(3) . . ?
C22 C13 C12 121.9(3) . . ?
C13 C14 C15 121.7(4) . . ?
C16 C15 C14 120.4(4) . . ?
C15 C16 C17 120.5(3) . . ?
C16 C17 C18 121.3(3) . . ?
C16 C17 C22 119.6(3) . . ?
C18 C17 C22 119.0(3) . . ?
C19 C18 C17 122.0(3) . . ?
C18 C19 C20 119.1(3) . . ?
C21 C20 C19 121.1(4) . . ?
C20 C21 C22 121.2(3) . . ?
C21 C22 C17 117.4(3) . . ?
C21 C22 C13 123.8(3) . . ?
C17 C22 C13 118.7(3) . . ?
N2 C24 C23 108.4(2) . . ?
N2 C24 C25 111.8(2) . . ?
C23 C24 C25 112.2(2) . . ?
C26 C25 C34 118.3(2) . . ?
C26 C25 C24 121.4(2) . . ?
C34 C25 C24 120.3(2) . . ?
C25 C26 C27 122.9(3) . . ?
C28 C27 C26 119.8(3) . . ?
C27 C28 C29 120.4(3) . . ?
C28 C29 C30 121.3(2) . . ?
C28 C29 C34 119.9(3) . . ?
C30 C29 C34 118.8(3) . . ?
C31 C30 C29 121.2(3) . . ?
C30 C31 C32 120.6(3) . . ?
C33 C32 C31 120.3(3) . . ?
C32 C33 C34 121.4(3) . . ?
C33 C34 C25 123.8(2) . . ?
C33 C34 C29 117.5(2) . . ?
C25 C34 C29 118.6(2) . . ?
C12 N1 C9 113.0(2) . . ?
C12 N1 Rh1 117.56(15) . . ?
C9 N1 Rh1 108.43(15) . . ?
C24 N2 C10 113.1(2) . . ?
C24 N2 Rh1 116.34(15) . . ?
C10 N2 Rh1 108.38(15) . . ?
C1 Rh1 N1 82.89(9) . . ?
C1 Rh1 N2 82.86(9) . . ?
N1 Rh1 N2 165.69(8) . . ?
C1 Rh1 Cl2 93.58(8) . . ?
N1 Rh1 Cl2 88.12(6) . . ?
N2 Rh1 Cl2 91.52(7) . . ?
C1 Rh1 Cl1 93.09(8) . . ?
N1 Rh1 Cl1 93.58(6) . . ?
N2 Rh1 Cl1 88.44(8) . . ?
Cl2 Rh1 Cl1 173.27(3) . . ?

_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_theta_full        28.31
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         1.029
_refine_diff_density_min         -0.267
_refine_diff_density_rms         0.066
