# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# 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_cw43
_database_code_depnum_ccdc_archive 'CCDC 1837993'
_audit_update_record             
;
2018-04-18 deposited with the CCDC.
2018-06-20 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C22 H19 N O4'
_chemical_formula_weight         361.38

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'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           33
_space_group_name_H-M_alt        'P n a 21'
_space_group_name_Hall           'P 2c -2n'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   6.0825(9)
_cell_length_b                   7.0656(11)
_cell_length_c                   40.788(6)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1752.9(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    36694
_cell_measurement_theta_min      1.99
_cell_measurement_theta_max      28.32

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.369
_exptl_crystal_F_000             760
_exptl_transmission_factor_min   0.903
_exptl_transmission_factor_max   1.000
_exptl_crystal_size_max          0.650
_exptl_crystal_size_mid          0.520
_exptl_crystal_size_min          0.480
_exptl_absorpt_coefficient_mu    0.095
_shelx_estimated_absorpt_T_min   0.941
_shelx_estimated_absorpt_T_max   0.956
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.903
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2001)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker Kappa Duo Apex II Diffractometer'
_diffrn_measurement_method       '0.5° φ scans and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            36694
_diffrn_reflns_av_unetI/netI     0.0175
_diffrn_reflns_av_R_equivalents  0.0269
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_l_min       -54
_diffrn_reflns_limit_l_max       50
_diffrn_reflns_theta_min         1.997
_diffrn_reflns_theta_max         28.325
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.971
_diffrn_reflns_point_group_measured_fraction_full 0.991
_reflns_number_total             4250
_reflns_number_gt                4045
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.920
_reflns_Friedel_fraction_max     0.943
_reflns_Friedel_fraction_full    0.983

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       
'SAINT (7.60a, Bruker AXS Inc., Madison, WI, USA, 2006)'
_computing_cell_refinement       
'SAINT (7.60a, Bruker AXS Inc., Madison, WI, USA, 2006)'
_computing_data_reduction        
'SAINT (7.60a, Bruker AXS Inc., Madison, WI, USA, 2006)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'X-Seed (Barbour, 2001'
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2014)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0508P)²+0.2477P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 1821 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.67(19)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         4250
_refine_ls_number_parameters     249
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0350
_refine_ls_R_factor_gt           0.0327
_refine_ls_wR_factor_ref         0.0836
_refine_ls_wR_factor_gt          0.0823
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_restrained_S_all      1.042
_refine_ls_shift/su_max          0.000
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
O1 O 0.5672(2) 0.4112(2) 0.24597(3) 0.0278(3) Uani 1 1 d . . . . .
H1 H 0.491(5) 0.437(4) 0.2270(8) 0.058(9) Uiso 1 1 d . . . . .
O2 O -0.1034(2) 0.51596(18) 0.08149(3) 0.0205(3) Uani 1 1 d . . . . .
O3 O -0.4355(3) 0.4807(3) -0.08500(4) 0.0410(4) Uani 1 1 d . . . . .
O4 O -0.7728(3) 0.5454(3) -0.06608(4) 0.0360(4) Uani 1 1 d . . . . .
N1 N 0.2386(3) 0.5078(2) 0.20860(4) 0.0190(3) Uani 1 1 d . . . . .
C1 C 0.4364(3) 0.4549(3) 0.27177(4) 0.0199(4) Uani 1 1 d . . . . .
C2 C 0.5174(3) 0.4291(3) 0.30348(5) 0.0254(4) Uani 1 1 d . . . . .
H2 H 0.6590 0.3756 0.3067 0.030 Uiso 1 1 calc R U . . .
C3 C 0.3904(4) 0.4819(3) 0.33031(5) 0.0286(4) Uani 1 1 d . . . . .
H3 H 0.4469 0.4657 0.3518 0.034 Uiso 1 1 calc R U . . .
C4 C 0.1811(4) 0.5583(3) 0.32598(5) 0.0279(4) Uani 1 1 d . . . . .
H4 H 0.0972 0.5969 0.3444 0.034 Uiso 1 1 calc R U . . .
C5 C 0.0960(3) 0.5776(3) 0.29470(5) 0.0234(4) Uani 1 1 d . . . . .
H5 H -0.0482 0.6266 0.2918 0.028 Uiso 1 1 calc R U . . .
C6 C 0.2205(3) 0.5255(2) 0.26709(4) 0.0183(3) Uani 1 1 d . . . . .
C7 C 0.1249(3) 0.5412(3) 0.23461(5) 0.0190(3) Uani 1 1 d . . . . .
H7 H -0.0249 0.5770 0.2325 0.023 Uiso 1 1 calc R U . . .
C8 C 0.1385(3) 0.5097(2) 0.17729(4) 0.0172(4) Uani 1 1 d . . . . .
C9 C -0.0644(3) 0.4236(2) 0.17089(4) 0.0191(3) Uani 1 1 d . . . . .
H9 H -0.1443 0.3670 0.1883 0.023 Uiso 1 1 calc R U . . .
C10 C -0.1508(3) 0.4199(2) 0.13912(4) 0.0189(4) Uani 1 1 d . . . . .
H10 H -0.2877 0.3597 0.1349 0.023 Uiso 1 1 calc R U . . .
C11 C -0.0347(3) 0.5052(2) 0.11368(4) 0.0159(3) Uani 1 1 d . . . . .
C12 C 0.1684(3) 0.5910(2) 0.11993(4) 0.0173(3) Uani 1 1 d . . . . .
H12 H 0.2466 0.6505 0.1026 0.021 Uiso 1 1 calc R U . . .
C13 C 0.2558(3) 0.5896(2) 0.15128(4) 0.0173(3) Uani 1 1 d . . . . .
H13 H 0.3966 0.6433 0.1551 0.021 Uiso 1 1 calc R U . . .
C14 C -0.3138(3) 0.4358(3) 0.07408(5) 0.0218(4) Uani 1 1 d . . . . .
H14A H -0.4274 0.4924 0.0884 0.026 Uiso 1 1 calc R U . . .
H14B H -0.3109 0.2976 0.0780 0.026 Uiso 1 1 calc R U . . .
C15 C -0.3681(3) 0.4746(2) 0.03864(5) 0.0198(4) Uani 1 1 d . . . . .
C16 C -0.5745(3) 0.5465(3) 0.03034(5) 0.0225(4) Uani 1 1 d . . . . .
H16 H -0.6733 0.5843 0.0471 0.027 Uiso 1 1 calc R U . . .
C17 C -0.6369(3) 0.5632(3) -0.00244(5) 0.0235(4) Uani 1 1 d . . . . .
H17 H -0.7784 0.6106 -0.0079 0.028 Uiso 1 1 calc R U . . .
C18 C -0.4919(3) 0.5104(3) -0.02712(5) 0.0204(4) Uani 1 1 d . . . . .
C19 C -0.2820(3) 0.4461(3) -0.01907(5) 0.0226(4) Uani 1 1 d . . . . .
H19 H -0.1806 0.4149 -0.0359 0.027 Uiso 1 1 calc R U . . .
C20 C -0.2206(3) 0.4275(3) 0.01367(5) 0.0210(4) Uani 1 1 d . . . . .
H20 H -0.0778 0.3826 0.0190 0.025 Uiso 1 1 calc R U . . .
C21 C -0.5578(3) 0.5117(3) -0.06244(5) 0.0253(4) Uani 1 1 d . . . . .
C22 C -0.8558(4) 0.5340(4) -0.09940(5) 0.0416(6) Uani 1 1 d . . . . .
H22A H -0.7935 0.6373 -0.1125 0.062 Uiso 1 1 calc R U . . .
H22B H -1.0164 0.5447 -0.0992 0.062 Uiso 1 1 calc R U . . .
H22C H -0.8135 0.4123 -0.1091 0.062 Uiso 1 1 calc R U . . .


_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
O1 C1 1.355(2) . ?
O2 C11 1.380(2) . ?
O2 C14 1.432(2) . ?
O3 C21 1.203(3) . ?
O4 C21 1.337(3) . ?
O4 C22 1.452(2) . ?
N1 C7 1.288(2) . ?
N1 C8 1.415(2) . ?
C1 C2 1.396(2) . ?
C1 C6 1.418(2) . ?
C2 C3 1.391(3) . ?
C3 C4 1.394(3) . ?
C4 C5 1.384(3) . ?
C5 C6 1.406(3) . ?
C6 C7 1.451(2) . ?
C8 C13 1.398(3) . ?
C8 C9 1.400(2) . ?
C9 C10 1.399(2) . ?
C10 C11 1.393(2) . ?
C11 C12 1.399(2) . ?
C12 C13 1.385(2) . ?
C14 C15 1.508(3) . ?
C15 C16 1.396(2) . ?
C15 C20 1.398(3) . ?
C16 C17 1.395(3) . ?
C17 C18 1.389(3) . ?
C18 C19 1.395(3) . ?
C18 C21 1.495(3) . ?
C19 C20 1.393(3) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C11 O2 C14 116.72(14) . . ?
C21 O4 C22 115.74(17) . . ?
C7 N1 C8 120.70(15) . . ?
O1 C1 C2 118.84(17) . . ?
O1 C1 C6 121.30(16) . . ?
C2 C1 C6 119.86(17) . . ?
C3 C2 C1 119.87(18) . . ?
C2 C3 C4 120.75(18) . . ?
C5 C4 C3 119.80(19) . . ?
C4 C5 C6 120.74(18) . . ?
C5 C6 C1 118.88(16) . . ?
C5 C6 C7 119.70(16) . . ?
C1 C6 C7 121.41(16) . . ?
N1 C7 C6 121.53(16) . . ?
C13 C8 C9 118.95(16) . . ?
C13 C8 N1 117.98(15) . . ?
C9 C8 N1 122.91(16) . . ?
C10 C9 C8 120.79(16) . . ?
C11 C10 C9 119.44(16) . . ?
O2 C11 C10 125.40(16) . . ?
O2 C11 C12 114.62(15) . . ?
C10 C11 C12 119.98(16) . . ?
C13 C12 C11 120.25(15) . . ?
C12 C13 C8 120.52(16) . . ?
O2 C14 C15 109.05(14) . . ?
C16 C15 C20 119.15(17) . . ?
C16 C15 C14 119.72(16) . . ?
C20 C15 C14 120.98(16) . . ?
C17 C16 C15 120.53(17) . . ?
C18 C17 C16 119.95(18) . . ?
C17 C18 C19 119.86(18) . . ?
C17 C18 C21 121.77(18) . . ?
C19 C18 C21 118.31(18) . . ?
C20 C19 C18 120.14(18) . . ?
C19 C20 C15 120.28(17) . . ?
O3 C21 O4 123.50(18) . . ?
O3 C21 C18 124.75(19) . . ?
O4 C21 C18 111.71(16) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 C1 C2 C3 176.77(17) . . . . ?
C6 C1 C2 C3 -3.3(3) . . . . ?
C1 C2 C3 C4 0.9(3) . . . . ?
C2 C3 C4 C5 1.7(3) . . . . ?
C3 C4 C5 C6 -1.7(3) . . . . ?
C4 C5 C6 C1 -0.8(3) . . . . ?
C4 C5 C6 C7 177.97(17) . . . . ?
O1 C1 C6 C5 -176.81(17) . . . . ?
C2 C1 C6 C5 3.3(3) . . . . ?
O1 C1 C6 C7 4.4(3) . . . . ?
C2 C1 C6 C7 -175.46(17) . . . . ?
C8 N1 C7 C6 175.12(15) . . . . ?
C5 C6 C7 N1 175.01(17) . . . . ?
C1 C6 C7 N1 -6.3(3) . . . . ?
C7 N1 C8 C13 140.47(18) . . . . ?
C7 N1 C8 C9 -44.2(2) . . . . ?
C13 C8 C9 C10 -1.1(3) . . . . ?
N1 C8 C9 C10 -176.33(15) . . . . ?
C8 C9 C10 C11 -0.8(3) . . . . ?
C14 O2 C11 C10 1.4(2) . . . . ?
C14 O2 C11 C12 -177.94(14) . . . . ?
C9 C10 C11 O2 -178.28(15) . . . . ?
C9 C10 C11 C12 1.0(2) . . . . ?
O2 C11 C12 C13 -179.87(14) . . . . ?
C10 C11 C12 C13 0.8(2) . . . . ?
C11 C12 C13 C8 -2.7(2) . . . . ?
C9 C8 C13 C12 2.9(3) . . . . ?
N1 C8 C13 C12 178.35(14) . . . . ?
C11 O2 C14 C15 175.53(14) . . . . ?
O2 C14 C15 C16 -132.02(18) . . . . ?
O2 C14 C15 C20 52.5(2) . . . . ?
C20 C15 C16 C17 2.9(3) . . . . ?
C14 C15 C16 C17 -172.73(17) . . . . ?
C15 C16 C17 C18 -0.9(3) . . . . ?
C16 C17 C18 C19 -1.9(3) . . . . ?
C16 C17 C18 C21 175.20(17) . . . . ?
C17 C18 C19 C20 2.6(3) . . . . ?
C21 C18 C19 C20 -174.60(16) . . . . ?
C18 C19 C20 C15 -0.5(3) . . . . ?
C16 C15 C20 C19 -2.2(3) . . . . ?
C14 C15 C20 C19 173.38(17) . . . . ?
C22 O4 C21 O3 2.7(3) . . . . ?
C22 O4 C21 C18 -175.14(17) . . . . ?
C17 C18 C21 O3 174.4(2) . . . . ?
C19 C18 C21 O3 -8.4(3) . . . . ?
C17 C18 C21 O4 -7.7(3) . . . . ?
C19 C18 C21 O4 169.39(19) . . . . ?

_refine_diff_density_max         0.238
_refine_diff_density_min         -0.201
_refine_diff_density_rms         0.036


_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: Dichloromethane'
####################################################################### 
# 
# 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_cw46
_database_code_depnum_ccdc_archive 'CCDC 1837994'
_audit_update_record             
;
2018-04-18 deposited with the CCDC.
2018-06-20 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C30 H30 N O4 Rh'
_chemical_formula_weight         571.46

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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   11.1388(15)
_cell_length_b                   18.327(2)
_cell_length_c                   12.3562(17)
_cell_angle_alpha                90
_cell_angle_beta                 102.026(3)
_cell_angle_gamma                90
_cell_volume                     2467.1(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    5847
_cell_measurement_theta_min      4.349
_cell_measurement_theta_max      52.88

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_diffrn    1.539
_exptl_crystal_F_000             1176
_exptl_transmission_factor_min   0.889
_exptl_transmission_factor_max   1.000
_exptl_crystal_size_max          0.210
_exptl_crystal_size_mid          0.190
_exptl_crystal_size_min          0.180
_exptl_absorpt_coefficient_mu    0.730
_shelx_estimated_absorpt_T_min   0.862
_shelx_estimated_absorpt_T_max   0.880
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.889
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2001)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker Kappa Duo Apex II Diffractometer'
_diffrn_measurement_method       '0.5° φ scans and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            55561
_diffrn_reflns_av_unetI/netI     0.0450
_diffrn_reflns_av_R_equivalents  0.0838
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         1.869
_diffrn_reflns_theta_max         28.377
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             6182
_reflns_number_gt                5006
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       
'SAINT (7.60a, Bruker AXS Inc., Madison, WI, USA, 2006)'
_computing_cell_refinement       
'SAINT (7.60a, Bruker AXS Inc., Madison, WI, USA, 2006)'
_computing_data_reduction        
'SAINT (7.60a, Bruker AXS Inc., Madison, WI, USA, 2006)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'X-Seed (Barbour, 2001'
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2014)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0313P)²+2.1367P] 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         6182
_refine_ls_number_parameters     326
_refine_ls_number_restraints     14
_refine_ls_R_factor_all          0.0484
_refine_ls_R_factor_gt           0.0356
_refine_ls_wR_factor_ref         0.0872
_refine_ls_wR_factor_gt          0.0804
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_restrained_S_all      1.052
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.44246(2) 0.11019(2) 0.68666(2) 0.02023(7) Uani 1 1 d . . . . .
O1 O 0.43952(17) 0.03630(10) 0.80916(14) 0.0252(4) Uani 1 1 d . . . . .
O2 O 0.17155(17) 0.10004(10) 0.12103(14) 0.0265(4) Uani 1 1 d . . . . .
O3 O -0.0807(2) 0.12773(11) -0.45262(16) 0.0363(5) Uani 1 1 d . . . . .
O4 O 0.0176(2) 0.23289(11) -0.40481(15) 0.0355(5) Uani 1 1 d . . . . .
N1 N 0.31589(19) 0.04893(11) 0.57647(16) 0.0210(4) Uani 1 1 d . . . . .
C1 C 0.3626(2) -0.01770(13) 0.80848(19) 0.0207(5) Uani 1 1 d . . . . .
C2 C 0.3678(2) -0.05852(14) 0.9068(2) 0.0232(5) Uani 1 1 d . . . . .
H2 H 0.4295 -0.0474 0.9702 0.028 Uiso 1 1 calc R U . . .
C3 C 0.2864(3) -0.11353(14) 0.9130(2) 0.0264(6) Uani 1 1 d . . . . .
H3 H 0.2913 -0.1389 0.9808 0.032 Uiso 1 1 calc R U . . .
C4 C 0.1958(3) -0.13302(15) 0.8208(2) 0.0299(6) Uani 1 1 d . . . . .
H4 H 0.1386 -0.1707 0.8258 0.036 Uiso 1 1 calc R U . . .
C5 C 0.1916(3) -0.09672(15) 0.7236(2) 0.0298(6) Uani 1 1 d . . . . .
H5 H 0.1322 -0.1108 0.6602 0.036 Uiso 1 1 calc R U . . .
C6 C 0.2727(2) -0.03894(14) 0.7143(2) 0.0235(5) Uani 1 1 d . . . . .
C7 C 0.2583(2) -0.00683(14) 0.6069(2) 0.0249(5) Uani 1 1 d . . . . .
H7 H 0.1989 -0.0291 0.5501 0.030 Uiso 1 1 calc R U . . .
C8 C 0.2821(2) 0.06349(14) 0.45841(19) 0.0213(5) Uani 1 1 d . . . . .
C9 C 0.1819(3) 0.10699(16) 0.4159(2) 0.0304(6) Uani 1 1 d . . . . .
H9 H 0.1362 0.1290 0.4641 0.037 Uiso 1 1 calc R U . . .
C10 C 0.1484(3) 0.11844(16) 0.3026(2) 0.0294(6) Uani 1 1 d . . . . .
H10 H 0.0798 0.1486 0.2735 0.035 Uiso 1 1 calc R U . . .
C11 C 0.2141(2) 0.08627(14) 0.23173(19) 0.0211(5) Uani 1 1 d . . . . .
C12 C 0.3154(2) 0.04374(14) 0.2744(2) 0.0255(6) Uani 1 1 d . . . . .
H12 H 0.3622 0.0225 0.2265 0.031 Uiso 1 1 calc R U . . .
C13 C 0.3485(2) 0.03233(15) 0.3884(2) 0.0252(6) Uani 1 1 d . . . . .
H13 H 0.4175 0.0027 0.4179 0.030 Uiso 1 1 calc R U . . .
C14 C 0.2255(3) 0.05797(16) 0.0454(2) 0.0282(6) Uani 1 1 d . . . . .
H14A H 0.2095 0.0053 0.0533 0.034 Uiso 1 1 calc R U . . .
H14B H 0.3154 0.0658 0.0597 0.034 Uiso 1 1 calc R U . . .
C15 C 0.1664(3) 0.08411(15) -0.0691(2) 0.0256(6) Uani 1 1 d . . . . .
C16 C 0.0678(3) 0.04688(15) -0.1321(2) 0.0277(6) Uani 1 1 d . . . . .
H16 H 0.0387 0.0035 -0.1042 0.033 Uiso 1 1 calc R U . . .
C17 C 0.0113(3) 0.07278(15) -0.2362(2) 0.0277(6) Uani 1 1 d . . . . .
H17 H -0.0554 0.0468 -0.2798 0.033 Uiso 1 1 calc R U . . .
C18 C 0.0530(2) 0.13697(14) -0.27594(19) 0.0223(5) Uani 1 1 d . . . . .
C19 C 0.1527(3) 0.17352(16) -0.2133(2) 0.0305(6) Uani 1 1 d . . . . .
H19 H 0.1822 0.2169 -0.2408 0.037 Uiso 1 1 calc R U . . .
C20 C 0.2089(3) 0.14668(16) -0.1110(2) 0.0315(6) Uani 1 1 d . . . . .
H20 H 0.2778 0.1715 -0.0688 0.038 Uiso 1 1 calc R U . . .
C21 C -0.0107(2) 0.16371(15) -0.3866(2) 0.0251(5) Uani 1 1 d . . . . .
C22 C -0.0417(3) 0.26315(17) -0.5108(2) 0.0393(7) Uani 1 1 d . . . . .
H22A H -0.0120 0.2379 -0.5700 0.059 Uiso 1 1 calc R U . . .
H22B H -0.0225 0.3153 -0.5126 0.059 Uiso 1 1 calc R U . . .
H22C H -0.1307 0.2567 -0.5214 0.059 Uiso 1 1 calc R U . . .
C23 C 0.5211(3) 0.18620(16) 0.8130(2) 0.0324(6) Uani 1 1 d . . . . .
H23 H 0.4730 0.1634 0.8584 0.039 Uiso 1 1 calc R U . . .
C24 C 0.6136(3) 0.14618(16) 0.7837(2) 0.0286(6) Uani 1 1 d . . . . .
H24 H 0.6254 0.0976 0.8106 0.034 Uiso 1 1 calc R U . . .
C25 C 0.6973(3) 0.1736(3) 0.7124(3) 0.0689(13) Uani 1 1 d . U . . .
H25A H 0.7343 0.2200 0.7443 0.083 Uiso 1 1 calc R U . . .
H25B H 0.7648 0.1380 0.7160 0.083 Uiso 1 1 calc R U . . .
C26 C 0.6413(3) 0.1863(2) 0.5957(3) 0.0431(8) Uani 1 1 d . U . . .
H26A H 0.6876 0.1578 0.5499 0.052 Uiso 1 1 calc R U . . .
H26B H 0.6510 0.2385 0.5792 0.052 Uiso 1 1 calc R U . . .
C27 C 0.5076(3) 0.16680(15) 0.5610(2) 0.0278(6) Uani 1 1 d . . . . .
H27 H 0.4863 0.1249 0.5159 0.033 Uiso 1 1 calc R U . . .
C28 C 0.4132(3) 0.20668(15) 0.5911(2) 0.0313(6) Uani 1 1 d . . . . .
H28 H 0.3315 0.1899 0.5656 0.038 Uiso 1 1 calc R U . . .
C29 C 0.4320(4) 0.27436(17) 0.6610(3) 0.0469(9) Uani 1 1 d . U . . .
H29A H 0.4822 0.3090 0.6278 0.056 Uiso 1 1 calc R U . . .
H29B H 0.3510 0.2975 0.6578 0.056 Uiso 1 1 calc R U . . .
C30 C 0.4911(4) 0.26384(19) 0.7777(3) 0.0716(14) Uani 1 1 d . U . . .
H30A H 0.4366 0.2842 0.8241 0.086 Uiso 1 1 calc R U . . .
H30B H 0.5682 0.2925 0.7933 0.086 Uiso 1 1 calc R U . . .


_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 O1 2.0364(17) . ?
Rh1 N1 2.074(2) . ?
Rh1 C28 2.114(3) . ?
Rh1 C27 2.118(3) . ?
Rh1 C24 2.134(3) . ?
Rh1 C23 2.139(3) . ?
O1 C1 1.308(3) . ?
O2 C11 1.374(3) . ?
O2 C14 1.437(3) . ?
O3 C21 1.201(3) . ?
O4 C21 1.337(3) . ?
O4 C22 1.449(3) . ?
N1 C7 1.303(3) . ?
N1 C8 1.453(3) . ?
C1 C2 1.418(3) . ?
C1 C6 1.422(3) . ?
C2 C3 1.369(4) . ?
C2 H2 0.9500 . ?
C3 C4 1.402(4) . ?
C3 H3 0.9500 . ?
C4 C5 1.365(4) . ?
C4 H4 0.9500 . ?
C5 C6 1.412(4) . ?
C5 H5 0.9500 . ?
C6 C7 1.431(3) . ?
C7 H7 0.9500 . ?
C8 C13 1.374(4) . ?
C8 C9 1.383(4) . ?
C9 C10 1.387(3) . ?
C9 H9 0.9500 . ?
C10 C11 1.385(4) . ?
C10 H10 0.9500 . ?
C11 C12 1.383(4) . ?
C12 C13 1.395(3) . ?
C12 H12 0.9500 . ?
C13 H13 0.9500 . ?
C14 C15 1.508(3) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C20 1.382(4) . ?
C15 C16 1.386(4) . ?
C16 C17 1.392(4) . ?
C16 H16 0.9500 . ?
C17 C18 1.392(4) . ?
C17 H17 0.9500 . ?
C18 C19 1.386(4) . ?
C18 C21 1.487(3) . ?
C19 C20 1.379(4) . ?
C19 H19 0.9500 . ?
C20 H20 0.9500 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 C24 1.374(4) . ?
C23 C30 1.505(4) . ?
C23 H23 0.9500 . ?
C24 C25 1.496(4) . ?
C24 H24 0.9500 . ?
C25 C26 1.465(4) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 C27 1.505(4) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 C28 1.393(4) . ?
C27 H27 0.9500 . ?
C28 C29 1.501(4) . ?
C28 H28 0.9500 . ?
C29 C30 1.468(5) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?

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
O1 Rh1 N1 90.80(8) . . ?
O1 Rh1 C28 161.31(10) . . ?
N1 Rh1 C28 94.67(10) . . ?
O1 Rh1 C27 158.74(10) . . ?
N1 Rh1 C27 94.23(9) . . ?
C28 Rh1 C27 38.45(11) . . ?
O1 Rh1 C24 86.49(9) . . ?
N1 Rh1 C24 160.30(10) . . ?
C28 Rh1 C24 94.08(11) . . ?
C27 Rh1 C24 81.83(10) . . ?
O1 Rh1 C23 87.60(9) . . ?
N1 Rh1 C23 161.93(10) . . ?
C28 Rh1 C23 81.67(11) . . ?
C27 Rh1 C23 93.74(11) . . ?
C24 Rh1 C23 37.50(11) . . ?
C1 O1 Rh1 127.62(15) . . ?
C11 O2 C14 116.44(19) . . ?
C21 O4 C22 115.9(2) . . ?
C7 N1 C8 113.2(2) . . ?
C7 N1 Rh1 122.93(16) . . ?
C8 N1 Rh1 123.91(16) . . ?
O1 C1 C2 118.9(2) . . ?
O1 C1 C6 124.1(2) . . ?
C2 C1 C6 116.9(2) . . ?
C3 C2 C1 121.8(2) . . ?
C3 C2 H2 119.1 . . ?
C1 C2 H2 119.1 . . ?
C2 C3 C4 121.0(2) . . ?
C2 C3 H3 119.5 . . ?
C4 C3 H3 119.5 . . ?
C5 C4 C3 118.5(3) . . ?
C5 C4 H4 120.7 . . ?
C3 C4 H4 120.7 . . ?
C4 C5 C6 122.1(2) . . ?
C4 C5 H5 118.9 . . ?
C6 C5 H5 118.9 . . ?
C5 C6 C1 119.5(2) . . ?
C5 C6 C7 115.7(2) . . ?
C1 C6 C7 124.8(2) . . ?
N1 C7 C6 128.6(2) . . ?
N1 C7 H7 115.7 . . ?
C6 C7 H7 115.7 . . ?
C13 C8 C9 119.9(2) . . ?
C13 C8 N1 119.7(2) . . ?
C9 C8 N1 120.4(2) . . ?
C8 C9 C10 119.8(2) . . ?
C8 C9 H9 120.1 . . ?
C10 C9 H9 120.1 . . ?
C11 C10 C9 120.5(2) . . ?
C11 C10 H10 119.8 . . ?
C9 C10 H10 119.8 . . ?
O2 C11 C12 124.6(2) . . ?
O2 C11 C10 115.7(2) . . ?
C12 C11 C10 119.7(2) . . ?
C11 C12 C13 119.5(2) . . ?
C11 C12 H12 120.2 . . ?
C13 C12 H12 120.2 . . ?
C8 C13 C12 120.7(2) . . ?
C8 C13 H13 119.7 . . ?
C12 C13 H13 119.7 . . ?
O2 C14 C15 106.2(2) . . ?
O2 C14 H14A 110.5 . . ?
C15 C14 H14A 110.5 . . ?
O2 C14 H14B 110.5 . . ?
C15 C14 H14B 110.5 . . ?
H14A C14 H14B 108.7 . . ?
C20 C15 C16 119.4(2) . . ?
C20 C15 C14 119.9(2) . . ?
C16 C15 C14 120.7(3) . . ?
C15 C16 C17 120.3(3) . . ?
C15 C16 H16 119.9 . . ?
C17 C16 H16 119.9 . . ?
C18 C17 C16 119.6(2) . . ?
C18 C17 H17 120.2 . . ?
C16 C17 H17 120.2 . . ?
C19 C18 C17 120.0(2) . . ?
C19 C18 C21 121.8(2) . . ?
C17 C18 C21 118.2(2) . . ?
C20 C19 C18 119.8(3) . . ?
C20 C19 H19 120.1 . . ?
C18 C19 H19 120.1 . . ?
C19 C20 C15 120.9(3) . . ?
C19 C20 H20 119.5 . . ?
C15 C20 H20 119.5 . . ?
O3 C21 O4 123.3(2) . . ?
O3 C21 C18 124.2(3) . . ?
O4 C21 C18 112.5(2) . . ?
O4 C22 H22A 109.5 . . ?
O4 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
O4 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C24 C23 C30 124.2(3) . . ?
C24 C23 Rh1 71.07(16) . . ?
C30 C23 Rh1 111.84(19) . . ?
C24 C23 H23 117.9 . . ?
C30 C23 H23 117.9 . . ?
Rh1 C23 H23 87.1 . . ?
C23 C24 C25 124.7(3) . . ?
C23 C24 Rh1 71.43(16) . . ?
C25 C24 Rh1 111.5(2) . . ?
C23 C24 H24 117.7 . . ?
C25 C24 H24 117.7 . . ?
Rh1 C24 H24 87.1 . . ?
C26 C25 C24 116.3(3) . . ?
C26 C25 H25A 108.2 . . ?
C24 C25 H25A 108.2 . . ?
C26 C25 H25B 108.2 . . ?
C24 C25 H25B 108.2 . . ?
H25A C25 H25B 107.4 . . ?
C25 C26 C27 115.9(3) . . ?
C25 C26 H26A 108.3 . . ?
C27 C26 H26A 108.3 . . ?
C25 C26 H26B 108.3 . . ?
C27 C26 H26B 108.3 . . ?
H26A C26 H26B 107.4 . . ?
C28 C27 C26 123.8(3) . . ?
C28 C27 Rh1 70.63(15) . . ?
C26 C27 Rh1 112.15(18) . . ?
C28 C27 H27 118.1 . . ?
C26 C27 H27 118.1 . . ?
Rh1 C27 H27 87.2 . . ?
C27 C28 C29 124.4(3) . . ?
C27 C28 Rh1 70.92(15) . . ?
C29 C28 Rh1 112.49(19) . . ?
C27 C28 H28 117.8 . . ?
C29 C28 H28 117.8 . . ?
Rh1 C28 H28 86.6 . . ?
C30 C29 C28 115.9(3) . . ?
C30 C29 H29A 108.3 . . ?
C28 C29 H29A 108.3 . . ?
C30 C29 H29B 108.3 . . ?
C28 C29 H29B 108.3 . . ?
H29A C29 H29B 107.4 . . ?
C29 C30 C23 115.8(3) . . ?
C29 C30 H30A 108.3 . . ?
C23 C30 H30A 108.3 . . ?
C29 C30 H30B 108.3 . . ?
C23 C30 H30B 108.3 . . ?
H30A C30 H30B 107.4 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Rh1 O1 C1 C2 -173.28(17) . . . . ?
Rh1 O1 C1 C6 6.9(4) . . . . ?
O1 C1 C2 C3 177.0(2) . . . . ?
C6 C1 C2 C3 -3.1(4) . . . . ?
C1 C2 C3 C4 1.6(4) . . . . ?
C2 C3 C4 C5 1.1(4) . . . . ?
C3 C4 C5 C6 -2.1(4) . . . . ?
C4 C5 C6 C1 0.5(4) . . . . ?
C4 C5 C6 C7 179.2(3) . . . . ?
O1 C1 C6 C5 -178.1(2) . . . . ?
C2 C1 C6 C5 2.1(4) . . . . ?
O1 C1 C6 C7 3.4(4) . . . . ?
C2 C1 C6 C7 -176.5(2) . . . . ?
C8 N1 C7 C6 176.6(3) . . . . ?
Rh1 N1 C7 C6 -3.5(4) . . . . ?
C5 C6 C7 N1 176.3(3) . . . . ?
C1 C6 C7 N1 -5.1(5) . . . . ?
C7 N1 C8 C13 -91.6(3) . . . . ?
Rh1 N1 C8 C13 88.5(3) . . . . ?
C7 N1 C8 C9 86.8(3) . . . . ?
Rh1 N1 C8 C9 -93.1(3) . . . . ?
C13 C8 C9 C10 0.5(4) . . . . ?
N1 C8 C9 C10 -177.9(3) . . . . ?
C8 C9 C10 C11 0.4(5) . . . . ?
C14 O2 C11 C12 10.0(4) . . . . ?
C14 O2 C11 C10 -170.2(2) . . . . ?
C9 C10 C11 O2 178.8(3) . . . . ?
C9 C10 C11 C12 -1.4(4) . . . . ?
O2 C11 C12 C13 -178.6(2) . . . . ?
C10 C11 C12 C13 1.5(4) . . . . ?
C9 C8 C13 C12 -0.4(4) . . . . ?
N1 C8 C13 C12 178.0(2) . . . . ?
C11 C12 C13 C8 -0.7(4) . . . . ?
C11 O2 C14 C15 -178.7(2) . . . . ?
O2 C14 C15 C20 81.9(3) . . . . ?
O2 C14 C15 C16 -96.8(3) . . . . ?
C20 C15 C16 C17 -0.8(4) . . . . ?
C14 C15 C16 C17 177.9(2) . . . . ?
C15 C16 C17 C18 -1.0(4) . . . . ?
C16 C17 C18 C19 1.9(4) . . . . ?
C16 C17 C18 C21 -179.1(2) . . . . ?
C17 C18 C19 C20 -1.0(4) . . . . ?
C21 C18 C19 C20 180.0(3) . . . . ?
C18 C19 C20 C15 -0.8(4) . . . . ?
C16 C15 C20 C19 1.7(4) . . . . ?
C14 C15 C20 C19 -177.0(3) . . . . ?
C22 O4 C21 O3 -0.1(4) . . . . ?
C22 O4 C21 C18 -179.5(2) . . . . ?
C19 C18 C21 O3 165.0(3) . . . . ?
C17 C18 C21 O3 -14.0(4) . . . . ?
C19 C18 C21 O4 -15.5(4) . . . . ?
C17 C18 C21 O4 165.4(2) . . . . ?
C30 C23 C24 C25 -0.3(4) . . . . ?
Rh1 C23 C24 C25 103.7(3) . . . . ?
C30 C23 C24 Rh1 -104.0(3) . . . . ?
C23 C24 C25 C26 -68.8(5) . . . . ?
Rh1 C24 C25 C26 12.9(5) . . . . ?
C24 C25 C26 C27 -2.7(6) . . . . ?
C25 C26 C27 C28 71.9(4) . . . . ?
C25 C26 C27 Rh1 -9.0(4) . . . . ?
C26 C27 C28 C29 0.5(4) . . . . ?
Rh1 C27 C28 C29 104.7(3) . . . . ?
C26 C27 C28 Rh1 -104.2(3) . . . . ?
C27 C28 C29 C30 -69.2(5) . . . . ?
Rh1 C28 C29 C30 12.4(4) . . . . ?
C28 C29 C30 C23 -2.1(6) . . . . ?
C24 C23 C30 C29 72.4(5) . . . . ?
Rh1 C23 C30 C29 -9.0(5) . . . . ?

_refine_diff_density_max         0.488
_refine_diff_density_min         -0.516
_refine_diff_density_rms         0.085


_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: Dichloromethane (slow diffusion of pentane)'
####################################################################### 
# 
# 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_cw135
_database_code_depnum_ccdc_archive 'CCDC 1837995'
_audit_update_record             
;
2018-04-18 deposited with the CCDC.
2018-06-20 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C24 H18 N O6 Rh'
_chemical_formula_weight         519.30

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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   17.7573(17)
_cell_length_b                   10.5493(10)
_cell_length_c                   24.617(2)
_cell_angle_alpha                90
_cell_angle_beta                 109.528(2)
_cell_angle_gamma                90
_cell_volume                     4346.1(7)
_cell_formula_units_Z            8
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9923
_cell_measurement_theta_min      2.29
_cell_measurement_theta_max      23.95

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_diffrn    1.587
_exptl_crystal_F_000             2096
_exptl_transmission_factor_min   0.924
_exptl_transmission_factor_max   1.000
_exptl_crystal_size_max          0.190
_exptl_crystal_size_mid          0.140
_exptl_crystal_size_min          0.090
_exptl_absorpt_coefficient_mu    0.827
_shelx_estimated_absorpt_T_min   0.859
_shelx_estimated_absorpt_T_max   0.929
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.924
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2001)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker Kappa Duo Apex II Diffractometer'
_diffrn_measurement_method       '0.5° φ scans and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            56349
_diffrn_reflns_av_unetI/netI     0.0394
_diffrn_reflns_av_R_equivalents  0.0506
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         1.217
_diffrn_reflns_theta_max         26.389
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             8892
_reflns_number_gt                6624
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       
'SAINT (7.60a, Bruker AXS Inc., Madison, WI, USA, 2006)'
_computing_cell_refinement       
'SAINT (7.60a, Bruker AXS Inc., Madison, WI, USA, 2006)'
_computing_data_reduction        
'SAINT (7.60a, Bruker AXS Inc., Madison, WI, USA, 2006)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'X-Seed (Barbour, 2001'
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2014)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0501P)²+2.4272P] 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         8892
_refine_ls_number_parameters     579
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0647
_refine_ls_R_factor_gt           0.0404
_refine_ls_wR_factor_ref         0.1012
_refine_ls_wR_factor_gt          0.0900
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_restrained_S_all      1.023
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1A Rh 0.23237(2) 0.70124(3) 0.33485(2) 0.04156(10) Uani 1 1 d . . . . .
O1A O 0.15713(14) 0.8469(2) 0.30290(11) 0.0459(6) Uani 1 1 d . . . . .
O2A O 0.63095(14) 0.6183(2) 0.46980(10) 0.0386(6) Uani 1 1 d . . . . .
O3A O 1.02726(16) 0.3494(2) 0.58709(13) 0.0559(8) Uani 1 1 d . . . . .
O4A O 0.93728(16) 0.2059(2) 0.59247(12) 0.0515(7) Uani 1 1 d . . . . .
O5A O 0.08960(18) 0.5287(3) 0.30195(18) 0.0922(12) Uani 1 1 d . . . . .
O6A O 0.33118(19) 0.4681(3) 0.37555(17) 0.0839(11) Uani 1 1 d . . . . .
N1A N 0.32743(15) 0.8258(3) 0.36262(12) 0.0309(6) Uani 1 1 d . . . . .
C1A C 0.1742(2) 0.9678(3) 0.30217(14) 0.0375(8) Uani 1 1 d . . . . .
C2A C 0.1103(2) 1.0529(4) 0.27582(15) 0.0457(10) Uani 1 1 d . . . . .
H2A H 0.0575 1.0206 0.2598 0.055 Uiso 1 1 calc R U . . .
C3A C 0.1230(2) 1.1799(4) 0.27301(16) 0.0479(10) Uani 1 1 d . . . . .
H3A H 0.0790 1.2340 0.2548 0.057 Uiso 1 1 calc R U . . .
C4A C 0.1985(3) 1.2313(4) 0.29600(16) 0.0459(9) Uani 1 1 d . . . . .
H4A H 0.2064 1.3201 0.2941 0.055 Uiso 1 1 calc R U . . .
C5A C 0.2623(2) 1.1524(3) 0.32171(16) 0.0414(9) Uani 1 1 d . . . . .
H5A H 0.3144 1.1875 0.3372 0.050 Uiso 1 1 calc R U . . .
C6A C 0.2519(2) 1.0205(3) 0.32549(14) 0.0328(8) Uani 1 1 d . . . . .
C7A C 0.3222(2) 0.9479(3) 0.35341(14) 0.0318(7) Uani 1 1 d . . . . .
H7A H 0.3709 0.9939 0.3669 0.038 Uiso 1 1 calc R U . . .
C8A C 0.40764(19) 0.7779(3) 0.39050(15) 0.0311(7) Uani 1 1 d . . . . .
C9A C 0.4640(2) 0.7894(3) 0.36389(15) 0.0331(8) Uani 1 1 d . . . . .
H9A H 0.4511 0.8324 0.3280 0.040 Uiso 1 1 calc R U . . .
C10A C 0.5405(2) 0.7379(3) 0.38953(15) 0.0345(8) Uani 1 1 d . . . . .
H10A H 0.5797 0.7463 0.3713 0.041 Uiso 1 1 calc R U . . .
C11A C 0.55849(19) 0.6747(3) 0.44156(14) 0.0313(7) Uani 1 1 d . . . . .
C12A C 0.5019(2) 0.6667(3) 0.46941(15) 0.0334(8) Uani 1 1 d . . . . .
H12A H 0.5150 0.6266 0.5060 0.040 Uiso 1 1 calc R U . . .
C13A C 0.4267(2) 0.7174(3) 0.44352(15) 0.0351(8) Uani 1 1 d . . . . .
H13A H 0.3877 0.7109 0.4621 0.042 Uiso 1 1 calc R U . . .
C14A C 0.6886(2) 0.6179(4) 0.44016(15) 0.0390(8) Uani 1 1 d . . . . .
H14A H 0.7061 0.7055 0.4362 0.047 Uiso 1 1 calc R U . . .
H14B H 0.6648 0.5810 0.4012 0.047 Uiso 1 1 calc R U . . .
C15A C 0.7586(2) 0.5393(3) 0.47554(14) 0.0339(8) Uani 1 1 d . . . . .
C16A C 0.8362(2) 0.5790(3) 0.48503(15) 0.0353(8) Uani 1 1 d . . . . .
H16A H 0.8455 0.6571 0.4691 0.042 Uiso 1 1 calc R U . . .
C17A C 0.9005(2) 0.5069(3) 0.51740(15) 0.0356(8) Uani 1 1 d . . . . .
H17A H 0.9533 0.5358 0.5235 0.043 Uiso 1 1 calc R U . . .
C18A C 0.8883(2) 0.3926(3) 0.54102(14) 0.0332(8) Uani 1 1 d . . . . .
C19A C 0.8100(2) 0.3499(3) 0.53048(16) 0.0427(9) Uani 1 1 d . . . . .
H19A H 0.8007 0.2711 0.5458 0.051 Uiso 1 1 calc R U . . .
C20A C 0.7462(2) 0.4233(4) 0.49760(17) 0.0459(9) Uani 1 1 d . . . . .
H20A H 0.6931 0.3935 0.4901 0.055 Uiso 1 1 calc R U . . .
C21A C 0.9585(2) 0.3169(3) 0.57591(15) 0.0385(8) Uani 1 1 d . . . . .
C22A C 1.0020(3) 0.1269(4) 0.62763(19) 0.0605(12) Uani 1 1 d . . . . .
H22A H 1.0334 0.0962 0.6043 0.091 Uiso 1 1 calc R U . . .
H22B H 0.9799 0.0544 0.6422 0.091 Uiso 1 1 calc R U . . .
H22C H 1.0363 0.1765 0.6602 0.091 Uiso 1 1 calc R U . . .
C23A C 0.1429(3) 0.5939(4) 0.3134(2) 0.0625(12) Uani 1 1 d . . . . .
C24A C 0.2951(2) 0.5588(4) 0.3610(2) 0.0581(12) Uani 1 1 d . . . . .
Rh1B Rh 0.27233(2) 0.73102(3) 0.20499(2) 0.03475(9) Uani 1 1 d . . . . .
O1B O 0.34707(14) 0.8806(2) 0.22615(10) 0.0398(6) Uani 1 1 d . . . . .
O2B O -0.11438(13) 0.6298(2) 0.03652(9) 0.0341(5) Uani 1 1 d . . . . .
O3B O -0.42418(15) 0.2361(2) -0.10602(12) 0.0519(7) Uani 1 1 d . . . . .
O4B O -0.51657(15) 0.3602(2) -0.08978(12) 0.0495(7) Uani 1 1 d . . . . .
O5B O 0.40884(18) 0.5532(3) 0.26094(15) 0.0755(10) Uani 1 1 d . . . . .
O6B O 0.16752(18) 0.5027(3) 0.18482(15) 0.0765(11) Uani 1 1 d . . . . .
N1B N 0.17994(15) 0.8492(2) 0.16073(11) 0.0292(6) Uani 1 1 d . . . . .
C1B C 0.3307(2) 1.0006(3) 0.21441(14) 0.0355(8) Uani 1 1 d . . . . .
C2B C 0.3941(2) 1.0888(4) 0.23508(15) 0.0421(9) Uani 1 1 d . . . . .
H2B H 0.4459 1.0593 0.2571 0.051 Uiso 1 1 calc R U . . .
C3B C 0.3821(3) 1.2158(4) 0.22382(16) 0.0471(10) Uani 1 1 d . . . . .
H3B H 0.4261 1.2723 0.2375 0.057 Uiso 1 1 calc R U . . .
C4B C 0.3076(3) 1.2639(4) 0.19299(17) 0.0478(10) Uani 1 1 d . . . . .
H4B H 0.3003 1.3523 0.1856 0.057 Uiso 1 1 calc R U . . .
C5B C 0.2439(2) 1.1811(3) 0.17311(15) 0.0398(9) Uani 1 1 d . . . . .
H5B H 0.1923 1.2136 0.1526 0.048 Uiso 1 1 calc R U . . .
C6B C 0.2538(2) 1.0491(3) 0.18266(14) 0.0323(8) Uani 1 1 d . . . . .
C7B C 0.1843(2) 0.9718(3) 0.15853(13) 0.0302(7) Uani 1 1 d . . . . .
H7B H 0.1360 1.0151 0.1387 0.036 Uiso 1 1 calc R U . . .
C8B C 0.10229(19) 0.7954(3) 0.12958(13) 0.0275(7) Uani 1 1 d . . . . .
C9B C 0.0401(2) 0.8047(3) 0.15051(15) 0.0359(8) Uani 1 1 d . . . . .
H9B H 0.0476 0.8477 0.1858 0.043 Uiso 1 1 calc R U . . .
C10B C -0.0342(2) 0.7514(3) 0.12042(15) 0.0367(8) Uani 1 1 d . . . . .
H10B H -0.0774 0.7592 0.1348 0.044 Uiso 1 1 calc R U . . .
C11B C -0.04430(19) 0.6871(3) 0.06933(13) 0.0273(7) Uani 1 1 d . . . . .
C12B C 0.0189(2) 0.6772(3) 0.04817(14) 0.0309(7) Uani 1 1 d . . . . .
H12B H 0.0118 0.6337 0.0130 0.037 Uiso 1 1 calc R U . . .
C13B C 0.0920(2) 0.7309(3) 0.07834(14) 0.0326(7) Uani 1 1 d . . . . .
H13B H 0.1353 0.7236 0.0640 0.039 Uiso 1 1 calc R U . . .
C14B C -0.1807(2) 0.6371(3) 0.05714(15) 0.0344(8) Uani 1 1 d . . . . .
H14C H -0.1961 0.7268 0.0590 0.041 Uiso 1 1 calc R U . . .
H14D H -0.1658 0.6006 0.0964 0.041 Uiso 1 1 calc R U . . .
C15B C -0.24989(19) 0.5641(3) 0.01649(14) 0.0298(7) Uani 1 1 d . . . . .
C16B C -0.32619(19) 0.5840(3) 0.01876(14) 0.0313(7) Uani 1 1 d . . . . .
H16B H -0.3345 0.6471 0.0437 0.038 Uiso 1 1 calc R U . . .
C17B C -0.3901(2) 0.5126(3) -0.01502(14) 0.0327(8) Uani 1 1 d . . . . .
H17B H -0.4419 0.5273 -0.0131 0.039 Uiso 1 1 calc R U . . .
C18B C -0.37926(19) 0.4201(3) -0.05158(14) 0.0318(7) Uani 1 1 d . . . . .
C19B C -0.3034(2) 0.4028(3) -0.05546(16) 0.0437(9) Uani 1 1 d . . . . .
H19B H -0.2955 0.3410 -0.0811 0.052 Uiso 1 1 calc R U . . .
C20B C -0.2392(2) 0.4756(4) -0.02196(17) 0.0473(10) Uani 1 1 d . . . . .
H20B H -0.1879 0.4646 -0.0255 0.057 Uiso 1 1 calc R U . . .
C21B C -0.4481(2) 0.3391(3) -0.08467(15) 0.0348(8) Uani 1 1 d . . . . .
C22B C -0.4847(2) 0.1457(4) -0.13653(18) 0.0554(11) Uani 1 1 d . . . . .
H22D H -0.4945 0.0865 -0.1089 0.083 Uiso 1 1 calc R U . . .
H22E H -0.4664 0.0985 -0.1641 0.083 Uiso 1 1 calc R U . . .
H22F H -0.5343 0.1907 -0.1573 0.083 Uiso 1 1 calc R U . . .
C23B C 0.3584(2) 0.6228(4) 0.24107(19) 0.0501(10) Uani 1 1 d . . . . .
C24B C 0.2072(2) 0.5906(4) 0.19095(17) 0.0486(10) 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
Rh1A C24A 1.853(5) . ?
Rh1A C23A 1.877(4) . ?
Rh1A O1A 2.015(3) . ?
Rh1A N1A 2.067(3) . ?
O1A C1A 1.312(4) . ?
O2A C11A 1.377(4) . ?
O2A C14A 1.442(4) . ?
O3A C21A 1.207(4) . ?
O4A C21A 1.335(4) . ?
O4A C22A 1.449(4) . ?
O5A C23A 1.127(5) . ?
O6A C24A 1.140(5) . ?
N1A C7A 1.306(4) . ?
N1A C8A 1.450(4) . ?
C1A C6A 1.419(5) . ?
C1A C2A 1.423(5) . ?
C2A C3A 1.364(6) . ?
C3A C4A 1.380(6) . ?
C4A C5A 1.378(5) . ?
C5A C6A 1.410(5) . ?
C6A C7A 1.429(5) . ?
C8A C9A 1.372(5) . ?
C8A C13A 1.389(5) . ?
C9A C10A 1.402(5) . ?
C10A C11A 1.383(5) . ?
C11A C12A 1.396(5) . ?
C12A C13A 1.381(5) . ?
C14A C15A 1.506(5) . ?
C15A C16A 1.384(5) . ?
C15A C20A 1.386(5) . ?
C16A C17A 1.381(5) . ?
C17A C18A 1.386(5) . ?
C18A C19A 1.401(5) . ?
C18A C21A 1.488(5) . ?
C19A C20A 1.388(5) . ?
Rh1B C24B 1.839(4) . ?
Rh1B C23B 1.877(4) . ?
Rh1B O1B 2.015(2) . ?
Rh1B N1B 2.058(3) . ?
O1B C1B 1.310(4) . ?
O2B C11B 1.376(4) . ?
O2B C14B 1.432(4) . ?
O3B C21B 1.337(4) . ?
O3B C22B 1.446(4) . ?
O4B C21B 1.201(4) . ?
O5B C23B 1.134(5) . ?
O6B C24B 1.144(5) . ?
N1B C7B 1.298(4) . ?
N1B C8B 1.451(4) . ?
C1B C2B 1.417(5) . ?
C1B C6B 1.423(5) . ?
C2B C3B 1.371(5) . ?
C3B C4B 1.383(6) . ?
C4B C5B 1.383(5) . ?
C5B C6B 1.414(5) . ?
C6B C7B 1.432(4) . ?
C8B C9B 1.369(5) . ?
C8B C13B 1.390(5) . ?
C9B C10B 1.397(5) . ?
C10B C11B 1.387(5) . ?
C11B C12B 1.390(4) . ?
C12B C13B 1.384(4) . ?
C14B C15B 1.511(4) . ?
C15B C20B 1.387(5) . ?
C15B C16B 1.390(4) . ?
C16B C17B 1.384(4) . ?
C17B C18B 1.384(5) . ?
C18B C19B 1.394(5) . ?
C18B C21B 1.491(4) . ?
C19B C20B 1.394(5) . ?

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
C24A Rh1A C23A 87.86(18) . . ?
C24A Rh1A O1A 175.48(14) . . ?
C23A Rh1A O1A 87.81(15) . . ?
C24A Rh1A N1A 94.06(14) . . ?
C23A Rh1A N1A 175.81(16) . . ?
O1A Rh1A N1A 90.35(10) . . ?
C1A O1A Rh1A 128.3(2) . . ?
C11A O2A C14A 116.6(3) . . ?
C21A O4A C22A 116.0(3) . . ?
C7A N1A C8A 115.3(3) . . ?
C7A N1A Rh1A 124.5(2) . . ?
C8A N1A Rh1A 120.0(2) . . ?
O1A C1A C6A 125.0(3) . . ?
O1A C1A C2A 117.9(3) . . ?
C6A C1A C2A 117.1(3) . . ?
C3A C2A C1A 121.5(4) . . ?
C2A C3A C4A 121.3(4) . . ?
C5A C4A C3A 119.2(4) . . ?
C4A C5A C6A 121.4(4) . . ?
C5A C6A C1A 119.4(3) . . ?
C5A C6A C7A 116.6(3) . . ?
C1A C6A C7A 123.9(3) . . ?
N1A C7A C6A 127.8(3) . . ?
C9A C8A C13A 120.1(3) . . ?
C9A C8A N1A 120.0(3) . . ?
C13A C8A N1A 119.8(3) . . ?
C8A C9A C10A 120.1(3) . . ?
C11A C10A C9A 119.5(3) . . ?
O2A C11A C10A 124.3(3) . . ?
O2A C11A C12A 115.5(3) . . ?
C10A C11A C12A 120.2(3) . . ?
C13A C12A C11A 119.6(3) . . ?
C12A C13A C8A 120.4(3) . . ?
O2A C14A C15A 107.3(3) . . ?
C16A C15A C20A 118.8(3) . . ?
C16A C15A C14A 120.9(3) . . ?
C20A C15A C14A 120.3(3) . . ?
C17A C16A C15A 121.0(3) . . ?
C16A C17A C18A 120.4(3) . . ?
C17A C18A C19A 119.1(3) . . ?
C17A C18A C21A 119.4(3) . . ?
C19A C18A C21A 121.5(3) . . ?
C20A C19A C18A 119.7(3) . . ?
C15A C20A C19A 121.0(3) . . ?
O3A C21A O4A 123.1(3) . . ?
O3A C21A C18A 124.6(3) . . ?
O4A C21A C18A 112.3(3) . . ?
O5A C23A Rh1A 178.2(5) . . ?
O6A C24A Rh1A 177.1(4) . . ?
C24B Rh1B C23B 87.72(16) . . ?
C24B Rh1B O1B 175.97(14) . . ?
C23B Rh1B O1B 89.56(14) . . ?
C24B Rh1B N1B 92.79(13) . . ?
C23B Rh1B N1B 176.33(16) . . ?
O1B Rh1B N1B 90.12(10) . . ?
C1B O1B Rh1B 128.4(2) . . ?
C11B O2B C14B 117.2(2) . . ?
C21B O3B C22B 117.5(3) . . ?
C7B N1B C8B 115.3(3) . . ?
C7B N1B Rh1B 125.3(2) . . ?
C8B N1B Rh1B 119.43(19) . . ?
O1B C1B C2B 117.6(3) . . ?
O1B C1B C6B 124.7(3) . . ?
C2B C1B C6B 117.6(3) . . ?
C3B C2B C1B 121.2(4) . . ?
C2B C3B C4B 121.7(4) . . ?
C3B C4B C5B 118.8(4) . . ?
C4B C5B C6B 121.5(4) . . ?
C5B C6B C1B 119.2(3) . . ?
C5B C6B C7B 116.7(3) . . ?
C1B C6B C7B 124.0(3) . . ?
N1B C7B C6B 127.3(3) . . ?
C9B C8B C13B 119.9(3) . . ?
C9B C8B N1B 121.1(3) . . ?
C13B C8B N1B 119.0(3) . . ?
C8B C9B C10B 120.6(3) . . ?
C11B C10B C9B 119.4(3) . . ?
O2B C11B C10B 124.4(3) . . ?
O2B C11B C12B 115.6(3) . . ?
C10B C11B C12B 120.1(3) . . ?
C13B C12B C11B 119.9(3) . . ?
C12B C13B C8B 120.2(3) . . ?
O2B C14B C15B 108.7(3) . . ?
C20B C15B C16B 119.1(3) . . ?
C20B C15B C14B 121.9(3) . . ?
C16B C15B C14B 119.0(3) . . ?
C17B C16B C15B 120.5(3) . . ?
C16B C17B C18B 120.7(3) . . ?
C17B C18B C19B 119.0(3) . . ?
C17B C18B C21B 119.6(3) . . ?
C19B C18B C21B 121.4(3) . . ?
C18B C19B C20B 120.3(3) . . ?
C15B C20B C19B 120.2(3) . . ?
O4B C21B O3B 123.6(3) . . ?
O4B C21B C18B 124.6(3) . . ?
O3B C21B C18B 111.8(3) . . ?
O5B C23B Rh1B 176.8(4) . . ?
O6B C24B Rh1B 176.9(4) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Rh1A O1A C1A C6A -1.0(5) . . . . ?
Rh1A O1A C1A C2A 178.7(2) . . . . ?
O1A C1A C2A C3A -179.7(3) . . . . ?
C6A C1A C2A C3A 0.1(5) . . . . ?
C1A C2A C3A C4A -0.5(6) . . . . ?
C2A C3A C4A C5A 0.7(6) . . . . ?
C3A C4A C5A C6A -0.6(5) . . . . ?
C4A C5A C6A C1A 0.2(5) . . . . ?
C4A C5A C6A C7A -179.6(3) . . . . ?
O1A C1A C6A C5A 179.8(3) . . . . ?
C2A C1A C6A C5A 0.1(5) . . . . ?
O1A C1A C6A C7A -0.4(5) . . . . ?
C2A C1A C6A C7A 179.9(3) . . . . ?
C8A N1A C7A C6A 178.0(3) . . . . ?
Rh1A N1A C7A C6A 2.9(5) . . . . ?
C5A C6A C7A N1A 179.1(3) . . . . ?
C1A C6A C7A N1A -0.7(5) . . . . ?
C7A N1A C8A C9A -62.3(4) . . . . ?
Rh1A N1A C8A C9A 113.1(3) . . . . ?
C7A N1A C8A C13A 119.3(3) . . . . ?
Rh1A N1A C8A C13A -65.3(3) . . . . ?
C13A C8A C9A C10A 1.3(5) . . . . ?
N1A C8A C9A C10A -177.0(3) . . . . ?
C8A C9A C10A C11A 0.4(5) . . . . ?
C14A O2A C11A C10A -5.0(5) . . . . ?
C14A O2A C11A C12A 176.0(3) . . . . ?
C9A C10A C11A O2A 178.5(3) . . . . ?
C9A C10A C11A C12A -2.5(5) . . . . ?
O2A C11A C12A C13A -178.1(3) . . . . ?
C10A C11A C12A C13A 2.8(5) . . . . ?
C11A C12A C13A C8A -1.0(5) . . . . ?
C9A C8A C13A C12A -1.0(5) . . . . ?
N1A C8A C13A C12A 177.3(3) . . . . ?
C11A O2A C14A C15A -173.6(3) . . . . ?
O2A C14A C15A C16A -136.8(3) . . . . ?
O2A C14A C15A C20A 45.4(4) . . . . ?
C20A C15A C16A C17A -2.0(5) . . . . ?
C14A C15A C16A C17A -179.9(3) . . . . ?
C15A C16A C17A C18A 0.1(5) . . . . ?
C16A C17A C18A C19A 1.5(5) . . . . ?
C16A C17A C18A C21A -179.8(3) . . . . ?
C17A C18A C19A C20A -1.2(5) . . . . ?
C21A C18A C19A C20A -179.9(3) . . . . ?
C16A C15A C20A C19A 2.4(6) . . . . ?
C14A C15A C20A C19A -179.8(3) . . . . ?
C18A C19A C20A C15A -0.8(6) . . . . ?
C22A O4A C21A O3A 2.9(5) . . . . ?
C22A O4A C21A C18A -178.9(3) . . . . ?
C17A C18A C21A O3A 2.3(5) . . . . ?
C19A C18A C21A O3A -179.0(4) . . . . ?
C17A C18A C21A O4A -175.9(3) . . . . ?
C19A C18A C21A O4A 2.8(5) . . . . ?
Rh1B O1B C1B C2B 179.0(2) . . . . ?
Rh1B O1B C1B C6B -0.7(5) . . . . ?
O1B C1B C2B C3B 178.9(3) . . . . ?
C6B C1B C2B C3B -1.4(5) . . . . ?
C1B C2B C3B C4B 1.4(6) . . . . ?
C2B C3B C4B C5B -0.1(6) . . . . ?
C3B C4B C5B C6B -1.3(5) . . . . ?
C4B C5B C6B C1B 1.3(5) . . . . ?
C4B C5B C6B C7B -178.0(3) . . . . ?
O1B C1B C6B C5B 179.7(3) . . . . ?
C2B C1B C6B C5B 0.1(5) . . . . ?
O1B C1B C6B C7B -1.1(5) . . . . ?
C2B C1B C6B C7B 179.2(3) . . . . ?
C8B N1B C7B C6B -176.7(3) . . . . ?
Rh1B N1B C7B C6B 4.2(5) . . . . ?
C5B C6B C7B N1B 178.3(3) . . . . ?
C1B C6B C7B N1B -0.9(5) . . . . ?
C7B N1B C8B C9B -74.3(4) . . . . ?
Rh1B N1B C8B C9B 104.8(3) . . . . ?
C7B N1B C8B C13B 107.2(3) . . . . ?
Rh1B N1B C8B C13B -73.7(3) . . . . ?
C13B C8B C9B C10B -0.9(5) . . . . ?
N1B C8B C9B C10B -179.4(3) . . . . ?
C8B C9B C10B C11B 0.9(5) . . . . ?
C14B O2B C11B C10B -0.4(5) . . . . ?
C14B O2B C11B C12B 179.5(3) . . . . ?
C9B C10B C11B O2B 179.2(3) . . . . ?
C9B C10B C11B C12B -0.7(5) . . . . ?
O2B C11B C12B C13B -179.5(3) . . . . ?
C10B C11B C12B C13B 0.5(5) . . . . ?
C11B C12B C13B C8B -0.4(5) . . . . ?
C9B C8B C13B C12B 0.7(5) . . . . ?
N1B C8B C13B C12B 179.1(3) . . . . ?
C11B O2B C14B C15B -177.6(3) . . . . ?
O2B C14B C15B C20B 18.1(4) . . . . ?
O2B C14B C15B C16B -163.6(3) . . . . ?
C20B C15B C16B C17B 2.8(5) . . . . ?
C14B C15B C16B C17B -175.6(3) . . . . ?
C15B C16B C17B C18B 0.1(5) . . . . ?
C16B C17B C18B C19B -2.3(5) . . . . ?
C16B C17B C18B C21B 176.1(3) . . . . ?
C17B C18B C19B C20B 1.5(5) . . . . ?
C21B C18B C19B C20B -176.9(3) . . . . ?
C16B C15B C20B C19B -3.6(5) . . . . ?
C14B C15B C20B C19B 174.8(3) . . . . ?
C18B C19B C20B C15B 1.4(6) . . . . ?
C22B O3B C21B O4B -0.4(5) . . . . ?
C22B O3B C21B C18B 176.8(3) . . . . ?
C17B C18B C21B O4B 12.9(5) . . . . ?
C19B C18B C21B O4B -168.8(4) . . . . ?
C17B C18B C21B O3B -164.3(3) . . . . ?
C19B C18B C21B O3B 14.1(5) . . . . ?

_refine_diff_density_max         1.938
_refine_diff_density_min         -0.738
_refine_diff_density_rms         0.080


_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: Dichloromethane'
