# Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry.
# 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_nfn21
_audit_block_doi                 10.5517/cc142tfg
_database_code_depnum_ccdc_archive 'CCDC 1045395'
loop_
_citation_id
_citation_doi
_citation_year
1 10.1021/acs.orglett.5b00440 2015
_audit_update_record             
;
2015-01-26 deposited with the CCDC.
2018-12-20 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C21 H26 Cl O2 Rh'
_chemical_formula_weight         448.78

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'
O O 0.0106 0.0060 '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   P2(1)

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

_cell_length_a                   7.24680(10)
_cell_length_b                   11.3553(2)
_cell_length_c                   12.5163(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 98.0950(10)
_cell_angle_gamma                90.00
_cell_volume                     1019.70(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    9923
_cell_measurement_theta_min      2.43
_cell_measurement_theta_max      27.51

_exptl_crystal_description       BLOCK
_exptl_crystal_colour            gold
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.32
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.462
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             460
_exptl_absorpt_coefficient_mu    0.979
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6541
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   'SAINT ver 7.34; Bruker SADABS'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(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  'Bruker APEXII 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            24360
_diffrn_reflns_av_R_equivalents  0.0309
_diffrn_reflns_av_sigmaI/netI    0.0226
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         1.64
_diffrn_reflns_theta_max         27.53
_reflns_number_total             4615
_reflns_number_gt                4318
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEXII'
_computing_cell_refinement       'Bruker APEXII'
_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)+(0.0250P)²+0.3090P] 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     SHELXL
_refine_ls_extinction_coef       0.0133(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.49(6)
_refine_ls_number_reflns         4615
_refine_ls_number_parameters     243
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0222
_refine_ls_R_factor_gt           0.0194
_refine_ls_wR_factor_ref         0.0502
_refine_ls_wR_factor_gt          0.0479
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_restrained_S_all      1.001
_refine_ls_shift/su_max          0.031
_refine_ls_shift/su_mean         0.004

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.533085(10) 0.25026(8) 0.367720(6) 0.03193(2) Uani 1 1 d . . .
Cl1 Cl 0.26172(4) 0.25023(18) 0.46069(3) 0.04980(8) Uani 1 1 d . . .
O1 O 0.3999(2) 0.12589(11) 0.26021(11) 0.0416(4) Uani 1 1 d . . .
O2 O 0.4018(2) 0.37506(12) 0.26078(12) 0.0417(4) Uani 1 1 d . . .
C1 C 0.3415(3) 0.14364(17) 0.16387(17) 0.0426(5) Uani 1 1 d . . .
C2 C 0.31573(15) 0.2472(4) 0.10776(9) 0.0347(3) Uani 1 1 d . . .
C3 C 0.3400(3) 0.36125(17) 0.15973(14) 0.0321(5) Uani 1 1 d . . .
C4 C 0.25176(18) 0.2501(6) -0.01196(9) 0.0405(3) Uani 1 1 d . . .
C5 C 0.3796(2) 0.2421(3) -0.08423(11) 0.0534(4) Uani 1 1 d . . .
H5A H 0.5060 0.2345 -0.0589 0.064 Uiso 1 1 calc R . .
C6 C 0.3182(3) 0.2455(6) -0.19548(12) 0.0718(5) Uani 1 1 d . . .
H6A H 0.4052 0.2481 -0.2434 0.086 Uiso 1 1 calc R . .
C7 C 0.1329(3) 0.2451(5) -0.23441(12) 0.0678(5) Uani 1 1 d . . .
H7A H 0.0938 0.2387 -0.3082 0.081 Uiso 1 1 calc R . .
C8 C 0.0054(3) 0.2541(6) -0.16485(13) 0.0701(5) Uani 1 1 d . . .
H8A H -0.125(3) 0.218(2) -0.1933(17) 0.070(7) Uiso 1 1 d . . .
C9 C 0.0636(2) 0.2574(4) -0.05333(11) 0.0554(5) Uani 1 1 d . . .
H9A H -0.035(2) 0.2748(18) -0.0075(13) 0.046(5) Uiso 1 1 d . . .
C10 C 0.2883(4) 0.0304(2) 0.0984(2) 0.0620(8) Uani 1 1 d . . .
H10A H 0.3240 -0.0372 0.1425 0.034(4) Uiso 1 1 calc R . .
H10B H 0.3517 0.0290 0.0360 0.041 Uiso 1 1 calc R . .
H10C H 0.1561 0.0291 0.0759 0.041 Uiso 1 1 calc R . .
C11 C 0.2911(5) 0.4740(2) 0.10303(18) 0.0603(9) Uani 1 1 d . . .
H11A H 0.2185 0.4584 0.0342 0.057(6) Uiso 1 1 calc R . .
H11B H 0.4031 0.5149 0.0925 0.068 Uiso 1 1 calc R . .
H11C H 0.2199 0.5218 0.1456 0.068 Uiso 1 1 calc R . .
C12 C 0.7817(2) 0.15083(16) 0.40377(17) 0.0392(5) Uani 1 1 d . . .
C13 C 0.7282(2) 0.18930(18) 0.49872(16) 0.0404(5) Uani 1 1 d . . .
C14 C 0.7248(3) 0.31626(17) 0.50100(17) 0.0338(5) Uani 1 1 d . . .
C15 C 0.7866(3) 0.3558(2) 0.39914(17) 0.0442(6) Uani 1 1 d . . .
C16 C 0.81414(16) 0.2552(4) 0.33876(11) 0.0451(4) Uani 1 1 d . . .
C17 C 0.8054(4) 0.0229(2) 0.3616(2) 0.0641(8) Uani 1 1 d . . .
H17A H 0.7615 -0.0325 0.4101 0.070(8) Uiso 1 1 calc R . .
H17B H 0.9347 0.0082 0.3575 0.084 Uiso 1 1 calc R . .
H17C H 0.7347 0.0144 0.2912 0.084 Uiso 1 1 calc R . .
C18 C 0.6771(3) 0.1092(2) 0.59191(19) 0.0587(7) Uani 1 1 d . . .
H18A H 0.6703 0.0286 0.5684 0.029(4) Uiso 1 1 calc R . .
H18B H 0.5587 0.1329 0.6107 0.035 Uiso 1 1 calc R . .
H18C H 0.7710 0.1168 0.6538 0.035 Uiso 1 1 calc R . .
C19 C 0.6836(3) 0.3899(2) 0.58762(17) 0.0427(6) Uani 1 1 d . . .
H19A H 0.6671 0.4696 0.5626 0.32(4) Uiso 1 1 calc R . .
H19B H 0.7847 0.3864 0.6460 0.387 Uiso 1 1 calc R . .
H19C H 0.5713 0.3629 0.6123 0.387 Uiso 1 1 calc R . .
C20 C 0.8064(4) 0.4737(3) 0.3699(2) 0.0579(8) Uani 1 1 d . . .
H20A H 0.7631 0.5240 0.4228 0.122(14) Uiso 1 1 calc R . .
H20B H 0.7345 0.4879 0.3007 0.147 Uiso 1 1 calc R . .
H20C H 0.9354 0.4901 0.3663 0.147 Uiso 1 1 calc R . .
C21 C 0.8821(2) 0.2440(6) 0.23100(13) 0.0679(6) Uani 1 1 d . . .
H21A H 1.0143 0.2570 0.2396 0.133(10) Uiso 1 1 calc R . .
H21B H 0.8207 0.3014 0.1821 0.064(7) Uiso 1 1 calc R . .
H21C H 0.8548 0.1664 0.2026 0.077 Uiso 1 1 calc R . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Rh1 O2 2.0847(15) . ?
Rh1 O1 2.0907(14) . ?
Rh1 C16 2.1191(12) . ?
Rh1 C12 2.1204(18) . ?
Rh1 C13 2.1246(18) . ?
Rh1 C14 2.150(2) . ?
Rh1 C15 2.182(2) . ?
Rh1 Cl1 2.4219(3) . ?
O1 C1 1.237(2) . ?
O2 C3 1.290(2) . ?
C1 C2 1.369(5) . ?
C1 C10 1.544(3) . ?
C2 C3 1.448(5) . ?
C2 C4 1.5052(16) . ?
C3 C11 1.483(3) . ?
C4 C5 1.386(2) . ?
C4 C9 1.391(2) . ?
C5 C6 1.401(2) . ?
C5 H5A 0.9300 . ?
C6 C7 1.362(3) . ?
C6 H6A 0.9300 . ?
C7 C8 1.360(3) . ?
C7 H7A 0.9300 . ?
C8 C9 1.401(2) . ?
C8 H8A 1.04(2) . ?
C9 H9A 0.998(17) . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 C13 1.372(3) . ?
C12 C16 1.475(4) . ?
C12 C17 1.564(3) . ?
C13 C14 1.442(2) . ?
C13 C18 1.564(3) . ?
C14 C19 1.433(3) . ?
C14 C15 1.479(3) . ?
C15 C16 1.399(5) . ?
C15 C20 1.401(4) . ?
C16 C21 1.505(2) . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?

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
O2 Rh1 O1 85.32(4) . . ?
O2 Rh1 C16 103.58(10) . . ?
O1 Rh1 C16 106.00(11) . . ?
O2 Rh1 C12 142.73(7) . . ?
O1 Rh1 C12 94.52(7) . . ?
C16 Rh1 C12 40.72(12) . . ?
O2 Rh1 C13 155.62(8) . . ?
O1 Rh1 C13 118.26(8) . . ?
C16 Rh1 C13 65.76(8) . . ?
C12 Rh1 C13 37.72(8) . . ?
O2 Rh1 C14 116.60(8) . . ?
O1 Rh1 C14 157.56(7) . . ?
C16 Rh1 C14 65.91(8) . . ?
C12 Rh1 C14 65.40(8) . . ?
C13 Rh1 C14 39.43(6) . . ?
O2 Rh1 C15 92.23(8) . . ?
O1 Rh1 C15 141.96(7) . . ?
C16 Rh1 C15 37.92(13) . . ?
C12 Rh1 C15 65.50(6) . . ?
C13 Rh1 C15 65.66(8) . . ?
C14 Rh1 C15 39.93(8) . . ?
O2 Rh1 Cl1 88.89(6) . . ?
O1 Rh1 Cl1 88.66(5) . . ?
C16 Rh1 Cl1 161.29(4) . . ?
C12 Rh1 Cl1 128.38(7) . . ?
C13 Rh1 Cl1 97.26(6) . . ?
C14 Rh1 Cl1 96.13(6) . . ?
C15 Rh1 Cl1 129.31(7) . . ?
C1 O1 Rh1 125.51(13) . . ?
C3 O2 Rh1 127.64(13) . . ?
O1 C1 C2 130.0(2) . . ?
O1 C1 C10 114.04(18) . . ?
C2 C1 C10 115.9(2) . . ?
C1 C2 C3 122.58(11) . . ?
C1 C2 C4 122.0(4) . . ?
C3 C2 C4 115.4(4) . . ?
O2 C3 C2 123.51(18) . . ?
O2 C3 C11 113.01(17) . . ?
C2 C3 C11 123.46(18) . . ?
C5 C4 C9 118.10(12) . . ?
C5 C4 C2 120.53(12) . . ?
C9 C4 C2 121.35(12) . . ?
C4 C5 C6 119.94(15) . . ?
C4 C5 H5A 120.0 . . ?
C6 C5 H5A 120.0 . . ?
C7 C6 C5 120.94(17) . . ?
C7 C6 H6A 119.5 . . ?
C5 C6 H6A 119.5 . . ?
C8 C7 C6 119.68(15) . . ?
C8 C7 H7A 120.2 . . ?
C6 C7 H7A 120.2 . . ?
C7 C8 C9 120.22(17) . . ?
C7 C8 H8A 114.6(12) . . ?
C9 C8 H8A 118.8(12) . . ?
C4 C9 C8 120.76(16) . . ?
C4 C9 H9A 122.8(9) . . ?
C8 C9 H9A 116.0(9) . . ?
C1 C10 H10A 109.5 . . ?
C1 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C1 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C3 C11 H11A 109.5 . . ?
C3 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C3 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C13 C12 C16 108.0(2) . . ?
C13 C12 C17 130.3(2) . . ?
C16 C12 C17 121.8(2) . . ?
C13 C12 Rh1 71.30(11) . . ?
C16 C12 Rh1 69.59(10) . . ?
C17 C12 Rh1 123.60(13) . . ?
C12 C13 C14 110.1(2) . . ?
C12 C13 C18 125.87(19) . . ?
C14 C13 C18 124.1(2) . . ?
C12 C13 Rh1 70.97(11) . . ?
C14 C13 Rh1 71.22(13) . . ?
C18 C13 Rh1 124.28(13) . . ?
C19 C14 C13 127.2(2) . . ?
C19 C14 C15 126.6(2) . . ?
C13 C14 C15 106.1(2) . . ?
C19 C14 Rh1 127.57(15) . . ?
C13 C14 Rh1 69.34(12) . . ?
C15 C14 Rh1 71.22(11) . . ?
C16 C15 C20 127.7(2) . . ?
C16 C15 C14 107.5(2) . . ?
C20 C15 C14 124.7(2) . . ?
C16 C15 Rh1 68.59(12) . . ?
C20 C15 Rh1 126.34(17) . . ?
C14 C15 Rh1 68.85(11) . . ?
C15 C16 C12 108.18(13) . . ?
C15 C16 C21 130.0(4) . . ?
C12 C16 C21 121.6(4) . . ?
C15 C16 Rh1 73.48(12) . . ?
C12 C16 Rh1 69.68(10) . . ?
C21 C16 Rh1 126.50(11) . . ?
C12 C17 H17A 109.5 . . ?
C12 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C12 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C13 C18 H18A 109.5 . . ?
C13 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C13 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C14 C19 H19A 109.5 . . ?
C14 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C14 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C15 C20 H20A 109.5 . . ?
C15 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C15 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C16 C21 H21A 109.5 . . ?
C16 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C16 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?

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
O2 Rh1 O1 C1 22.09(15) . . . . ?
C16 Rh1 O1 C1 -80.71(19) . . . . ?
C12 Rh1 O1 C1 -120.51(17) . . . . ?
C13 Rh1 O1 C1 -151.39(16) . . . . ?
C14 Rh1 O1 C1 -146.01(19) . . . . ?
C15 Rh1 O1 C1 -65.5(2) . . . . ?
Cl1 Rh1 O1 C1 111.09(16) . . . . ?
O1 Rh1 O2 C3 -22.68(16) . . . . ?
C16 Rh1 O2 C3 82.7(2) . . . . ?
C12 Rh1 O2 C3 68.6(2) . . . . ?
C13 Rh1 O2 C3 143.29(19) . . . . ?
C14 Rh1 O2 C3 152.27(17) . . . . ?
C15 Rh1 O2 C3 119.28(18) . . . . ?
Cl1 Rh1 O2 C3 -111.43(17) . . . . ?
Rh1 O1 C1 C2 -13.3(3) . . . . ?
Rh1 O1 C1 C10 167.43(15) . . . . ?
O1 C1 C2 C3 -6.0(3) . . . . ?
C10 C1 C2 C3 173.3(2) . . . . ?
O1 C1 C2 C4 176.76(18) . . . . ?
C10 C1 C2 C4 -4.0(2) . . . . ?
Rh1 O2 C3 C2 13.9(3) . . . . ?
Rh1 O2 C3 C11 -167.84(17) . . . . ?
C1 C2 C3 O2 5.8(2) . . . . ?
C4 C2 C3 O2 -176.82(17) . . . . ?
C1 C2 C3 C11 -172.4(2) . . . . ?
C4 C2 C3 C11 5.0(3) . . . . ?
C1 C2 C4 C5 -86.4(5) . . . . ?
C3 C2 C4 C5 96.2(5) . . . . ?
C1 C2 C4 C9 91.8(6) . . . . ?
C3 C2 C4 C9 -85.6(6) . . . . ?
C9 C4 C5 C6 2.1(8) . . . . ?
C2 C4 C5 C6 -179.7(5) . . . . ?
C4 C5 C6 C7 -6.4(9) . . . . ?
C5 C6 C7 C8 7.0(9) . . . . ?
C6 C7 C8 C9 -3.4(9) . . . . ?
C5 C4 C9 C8 1.5(9) . . . . ?
C2 C4 C9 C8 -176.8(5) . . . . ?
C7 C8 C9 C4 -0.9(9) . . . . ?
O2 Rh1 C12 C13 139.42(14) . . . . ?
O1 Rh1 C12 C13 -132.38(12) . . . . ?
C16 Rh1 C12 C13 118.23(19) . . . . ?
C14 Rh1 C12 C13 37.21(11) . . . . ?
C15 Rh1 C12 C13 81.31(13) . . . . ?
Cl1 Rh1 C12 C13 -40.50(14) . . . . ?
O2 Rh1 C12 C16 21.2(2) . . . . ?
O1 Rh1 C12 C16 109.39(14) . . . . ?
C13 Rh1 C12 C16 -118.23(19) . . . . ?
C14 Rh1 C12 C16 -81.02(15) . . . . ?
C15 Rh1 C12 C16 -36.93(14) . . . . ?
Cl1 Rh1 C12 C16 -158.74(14) . . . . ?
O2 Rh1 C12 C17 -94.1(2) . . . . ?
O1 Rh1 C12 C17 -5.93(19) . . . . ?
C16 Rh1 C12 C17 -115.3(3) . . . . ?
C13 Rh1 C12 C17 126.5(2) . . . . ?
C14 Rh1 C12 C17 163.7(2) . . . . ?
C15 Rh1 C12 C17 -152.2(2) . . . . ?
Cl1 Rh1 C12 C17 85.9(2) . . . . ?
C16 C12 C13 C14 -0.5(2) . . . . ?
C17 C12 C13 C14 -179.37(19) . . . . ?
Rh1 C12 C13 C14 -60.76(15) . . . . ?
C16 C12 C13 C18 179.30(16) . . . . ?
C17 C12 C13 C18 0.5(3) . . . . ?
Rh1 C12 C13 C18 119.07(19) . . . . ?
C16 C12 C13 Rh1 60.23(11) . . . . ?
C17 C12 C13 Rh1 -118.6(2) . . . . ?
O2 Rh1 C13 C12 -107.35(18) . . . . ?
O1 Rh1 C13 C12 56.73(13) . . . . ?
C16 Rh1 C13 C12 -39.08(17) . . . . ?
C14 Rh1 C13 C12 -120.04(19) . . . . ?
C15 Rh1 C13 C12 -80.85(11) . . . . ?
Cl1 Rh1 C13 C12 149.12(11) . . . . ?
O2 Rh1 C13 C14 12.7(3) . . . . ?
O1 Rh1 C13 C14 176.77(12) . . . . ?
C16 Rh1 C13 C14 80.96(19) . . . . ?
C12 Rh1 C13 C14 120.04(19) . . . . ?
C15 Rh1 C13 C14 39.19(14) . . . . ?
Cl1 Rh1 C13 C14 -90.84(14) . . . . ?
O2 Rh1 C13 C18 131.65(19) . . . . ?
O1 Rh1 C13 C18 -64.3(2) . . . . ?
C16 Rh1 C13 C18 -160.1(2) . . . . ?
C12 Rh1 C13 C18 -121.0(2) . . . . ?
C14 Rh1 C13 C18 119.0(3) . . . . ?
C15 Rh1 C13 C18 158.2(2) . . . . ?
Cl1 Rh1 C13 C18 28.12(19) . . . . ?
C12 C13 C14 C19 -177.27(17) . . . . ?
C18 C13 C14 C19 2.9(4) . . . . ?
Rh1 C13 C14 C19 122.1(2) . . . . ?
C12 C13 C14 C15 -1.5(3) . . . . ?
C18 C13 C14 C15 178.62(16) . . . . ?
Rh1 C13 C14 C15 -62.15(14) . . . . ?
C12 C13 C14 Rh1 60.60(14) . . . . ?
C18 C13 C14 Rh1 -119.23(19) . . . . ?
O2 Rh1 C14 C19 64.2(2) . . . . ?
O1 Rh1 C14 C19 -129.1(2) . . . . ?
C16 Rh1 C14 C19 157.8(2) . . . . ?
C12 Rh1 C14 C19 -157.3(2) . . . . ?
C13 Rh1 C14 C19 -121.6(3) . . . . ?
C15 Rh1 C14 C19 122.2(2) . . . . ?
Cl1 Rh1 C14 C19 -27.64(19) . . . . ?
O2 Rh1 C14 C13 -174.18(12) . . . . ?
O1 Rh1 C14 C13 -7.5(3) . . . . ?
C16 Rh1 C14 C13 -80.53(19) . . . . ?
C12 Rh1 C14 C13 -35.63(13) . . . . ?
C15 Rh1 C14 C13 -116.2(2) . . . . ?
Cl1 Rh1 C14 C13 93.98(14) . . . . ?
O2 Rh1 C14 C15 -57.96(14) . . . . ?
O1 Rh1 C14 C15 108.8(2) . . . . ?
C16 Rh1 C14 C15 35.69(18) . . . . ?
C12 Rh1 C14 C15 80.59(12) . . . . ?
C13 Rh1 C14 C15 116.2(2) . . . . ?
Cl1 Rh1 C14 C15 -149.80(13) . . . . ?
C19 C14 C15 C16 178.86(18) . . . . ?
C13 C14 C15 C16 3.1(2) . . . . ?
Rh1 C14 C15 C16 -57.80(12) . . . . ?
C19 C14 C15 C20 -3.0(3) . . . . ?
C13 C14 C15 C20 -178.8(2) . . . . ?
Rh1 C14 C15 C20 120.3(2) . . . . ?
C19 C14 C15 Rh1 -123.3(2) . . . . ?
C13 C14 C15 Rh1 60.91(15) . . . . ?
O2 Rh1 C15 C16 -109.41(14) . . . . ?
O1 Rh1 C15 C16 -24.2(2) . . . . ?
C12 Rh1 C15 C16 39.62(14) . . . . ?
C13 Rh1 C15 C16 81.22(15) . . . . ?
C14 Rh1 C15 C16 119.9(2) . . . . ?
Cl1 Rh1 C15 C16 160.20(13) . . . . ?
O2 Rh1 C15 C20 12.4(2) . . . . ?
O1 Rh1 C15 C20 97.7(2) . . . . ?
C16 Rh1 C15 C20 121.8(3) . . . . ?
C12 Rh1 C15 C20 161.4(3) . . . . ?
C13 Rh1 C15 C20 -157.0(2) . . . . ?
C14 Rh1 C15 C20 -118.2(3) . . . . ?
Cl1 Rh1 C15 C20 -78.0(2) . . . . ?
O2 Rh1 C15 C14 130.67(12) . . . . ?
O1 Rh1 C15 C14 -144.09(12) . . . . ?
C16 Rh1 C15 C14 -119.9(2) . . . . ?
C12 Rh1 C15 C14 -80.30(13) . . . . ?
C13 Rh1 C15 C14 -38.71(12) . . . . ?
Cl1 Rh1 C15 C14 40.27(16) . . . . ?
C20 C15 C16 C12 178.5(2) . . . . ?
C14 C15 C16 C12 -3.45(16) . . . . ?
Rh1 C15 C16 C12 -61.41(9) . . . . ?
C20 C15 C16 C21 4.0(3) . . . . ?
C14 C15 C16 C21 -177.90(15) . . . . ?
Rh1 C15 C16 C21 124.13(16) . . . . ?
C20 C15 C16 Rh1 -120.1(2) . . . . ?
C14 C15 C16 Rh1 57.96(14) . . . . ?
C13 C12 C16 C15 2.54(15) . . . . ?
C17 C12 C16 C15 -178.50(19) . . . . ?
Rh1 C12 C16 C15 63.85(11) . . . . ?
C13 C12 C16 C21 177.56(14) . . . . ?
C17 C12 C16 C21 -3.5(2) . . . . ?
Rh1 C12 C16 C21 -121.13(14) . . . . ?
C13 C12 C16 Rh1 -61.31(13) . . . . ?
C17 C12 C16 Rh1 117.65(17) . . . . ?
O2 Rh1 C16 C15 75.83(13) . . . . ?
O1 Rh1 C16 C15 164.79(13) . . . . ?
C12 Rh1 C16 C15 -117.18(12) . . . . ?
C13 Rh1 C16 C15 -80.94(13) . . . . ?
C14 Rh1 C16 C15 -37.54(12) . . . . ?
Cl1 Rh1 C16 C15 -54.8(5) . . . . ?
O2 Rh1 C16 C12 -166.99(12) . . . . ?
O1 Rh1 C16 C12 -78.03(12) . . . . ?
C13 Rh1 C16 C12 36.24(11) . . . . ?
C14 Rh1 C16 C12 79.65(11) . . . . ?
C15 Rh1 C16 C12 117.18(12) . . . . ?
Cl1 Rh1 C16 C12 62.4(5) . . . . ?
O2 Rh1 C16 C21 -52.1(5) . . . . ?
O1 Rh1 C16 C21 36.9(5) . . . . ?
C12 Rh1 C16 C21 114.9(5) . . . . ?
C13 Rh1 C16 C21 151.1(5) . . . . ?
C14 Rh1 C16 C21 -165.5(5) . . . . ?
C15 Rh1 C16 C21 -127.9(5) . . . . ?
Cl1 Rh1 C16 C21 177.3(4) . . . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        27.53
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.279
_refine_diff_density_min         -0.319
_refine_diff_density_rms         0.047

####################################################################### 
# 
# 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_nfn22
_database_code_depnum_ccdc_archive 'CCDC 1841663'
_audit_update_record             
;
2018-05-07 deposited with the CCDC.
2018-12-20 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C27 H29 Br Cl O2 Rh'
_chemical_formula_weight         603.77

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'
O O 0.0106 0.0060 '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'
Br Br -0.2901 2.4595 '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   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.2888(4)
_cell_length_b                   8.8488(5)
_cell_length_c                   17.5560(9)
_cell_angle_alpha                79.844(2)
_cell_angle_beta                 81.3100(10)
_cell_angle_gamma                89.5190(10)
_cell_volume                     1252.71(11)
_cell_formula_units_Z            2
_cell_measurement_temperature    294(2)
_cell_measurement_reflns_used    9572
_cell_measurement_theta_min      2.34
_cell_measurement_theta_max      30.28

_exptl_crystal_description       PLATE
_exptl_crystal_colour            gold
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.06
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.601
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             608
_exptl_absorpt_coefficient_mu    2.405
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5796
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_process_details   SAINT

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      294(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  'D8_VENTURE PHOTOS 100 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            83804
_diffrn_reflns_av_R_equivalents  0.0338
_diffrn_reflns_av_sigmaI/netI    0.0168
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         2.43
_diffrn_reflns_theta_max         30.57
_reflns_number_total             7669
_reflns_number_gt                6871
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX3'
_computing_cell_refinement       'Bruker APEX3'
_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)+(0.0439P)²+0.9910P] 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_number_reflns         7669
_refine_ls_number_parameters     300
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0331
_refine_ls_R_factor_gt           0.0263
_refine_ls_wR_factor_ref         0.0811
_refine_ls_wR_factor_gt          0.0713
_refine_ls_goodness_of_fit_ref   1.002
_refine_ls_restrained_S_all      1.002
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.691806(12) 0.701968(11) 0.284164(6) 0.02627(2) Uani 1 1 d . . .
Br1 Br 0.11761(3) 0.36036(3) 0.067265(14) 0.07039(6) Uani 1 1 d . . .
Cl1 Cl 0.41964(4) 0.59745(5) 0.32205(2) 0.04402(9) Uani 1 1 d . . .
O1 O 0.92469(13) 0.83483(14) 0.09035(7) 0.0418(3) Uani 1 1 d . . .
O2 O 0.67153(14) 0.88620(13) 0.06591(7) 0.0469(3) Uani 1 1 d . . .
C1 C 0.6261(2) 0.90520(19) 0.33566(11) 0.0456(4) Uani 1 1 d . . .
C2 C 0.6780(2) 0.7868(2) 0.39470(10) 0.0450(4) Uani 1 1 d . . .
C3 C 0.8435(2) 0.75716(19) 0.37022(9) 0.0404(3) Uani 1 1 d . . .
C4 C 0.89377(19) 0.85094(18) 0.29529(10) 0.0389(3) Uani 1 1 d . . .
C5 C 0.7603(2) 0.94652(17) 0.27612(10) 0.0419(4) Uani 1 1 d . . .
C6 C 0.4617(3) 0.9788(3) 0.34051(17) 0.0780(7) Uani 1 1 d . . .
H6A H 0.4636 1.0659 0.3661 0.117 Uiso 1 1 calc R . .
H6B H 0.3804 0.9058 0.3698 0.117 Uiso 1 1 calc R . .
H6C H 0.4361 1.0116 0.2887 0.117 Uiso 1 1 calc R . .
C7 C 0.5775(3) 0.7211(3) 0.47089(13) 0.0789(7) Uani 1 1 d . . .
H7A H 0.5941 0.7816 0.5095 0.118 Uiso 1 1 calc R . .
H7B H 0.6093 0.6174 0.4874 0.118 Uiso 1 1 calc R . .
H7C H 0.4643 0.7222 0.4649 0.118 Uiso 1 1 calc R . .
C8 C 0.9510(3) 0.6519(3) 0.41576(13) 0.0656(5) Uani 1 1 d . . .
H8A H 1.0377 0.6178 0.3803 0.122(12) Uiso 1 1 calc R . .
H8B H 0.8879 0.5648 0.4454 0.146 Uiso 1 1 calc R . .
H8C H 0.9964 0.7057 0.4508 0.146 Uiso 1 1 calc R . .
C9 C 1.0643(2) 0.8666(3) 0.25172(13) 0.0597(5) Uani 1 1 d . . .
H9A H 1.1235 0.7756 0.2675 0.095(9) Uiso 1 1 calc R . .
H9B H 1.1176 0.9540 0.2633 0.114 Uiso 1 1 calc R . .
H9C H 1.0612 0.8803 0.1965 0.114 Uiso 1 1 calc R . .
C10 C 0.7687(3) 1.0736(2) 0.20717(14) 0.0678(6) Uani 1 1 d . . .
H10A H 0.8013 1.1674 0.2214 0.102 Uiso 1 1 calc R . .
H10B H 0.6634 1.0857 0.1907 0.102 Uiso 1 1 calc R . .
H10C H 0.8470 1.0494 0.1651 0.102 Uiso 1 1 calc R . .
C11 C 0.81962(16) 0.57779(15) 0.20123(8) 0.0274(3) Uani 1 1 d . . .
H11A H 0.935(2) 0.6059(19) 0.1883(10) 0.029(4) Uiso 1 1 d . . .
C12 C 0.76351(16) 0.46448(14) 0.26590(8) 0.0285(3) Uani 1 1 d . . .
H12B H 0.654(2) 0.4233(19) 0.2710(10) 0.032(4) Uiso 1 1 d . . .
C13 C 0.87011(18) 0.36833(15) 0.31351(8) 0.0300(3) Uani 1 1 d . . .
C14 C 0.7969(2) 0.2580(2) 0.37509(10) 0.0450(4) Uani 1 1 d . . .
H14A H 0.6837 0.2517 0.3871 0.054 Uiso 1 1 calc R . .
C15 C 0.8909(3) 0.1573(2) 0.41870(12) 0.0637(6) Uani 1 1 d . . .
H15A H 0.8404 0.0834 0.4595 0.076 Uiso 1 1 calc R . .
C16 C 1.0581(3) 0.1659(2) 0.40214(12) 0.0631(5) Uani 1 1 d . . .
H16A H 1.1206 0.0972 0.4313 0.076 Uiso 1 1 calc R . .
C17 C 1.1329(2) 0.2757(2) 0.34259(12) 0.0553(5) Uani 1 1 d . . .
H17A H 1.2462 0.2830 0.3321 0.066 Uiso 1 1 calc R . .
C18 C 1.0395(2) 0.37610(19) 0.29793(10) 0.0419(4) Uani 1 1 d . . .
H18A H 1.0910 0.4494 0.2571 0.050 Uiso 1 1 calc R . .
C19 C 0.70532(16) 0.66734(14) 0.15984(7) 0.0268(3) Uani 1 1 d . . .
C20 C 0.78133(17) 0.80263(16) 0.10264(8) 0.0316(3) Uani 1 1 d . . .
C21 C 0.7365(3) 1.0147(2) 0.00626(13) 0.0628(6) Uani 1 1 d . . .
H21A H 0.6585 1.0438 -0.0287 0.138(14) Uiso 1 1 calc R . .
H21B H 0.8360 0.9855 -0.0227 0.166 Uiso 1 1 calc R . .
H21C H 0.7580 1.0999 0.0306 0.166 Uiso 1 1 calc R . .
C22 C 0.55947(16) 0.59479(15) 0.13925(7) 0.0279(3) Uani 1 1 d . . .
C23 C 0.41243(17) 0.67049(17) 0.13448(8) 0.0328(3) Uani 1 1 d . . .
H23A H 0.4013 0.7682 0.1471 0.039 Uiso 1 1 calc R . .
C24 C 0.28267(18) 0.60261(19) 0.11131(9) 0.0377(3) Uani 1 1 d . . .
H24A H 0.1862 0.6554 0.1066 0.045 Uiso 1 1 calc R . .
C25 C 0.29807(19) 0.4563(2) 0.09530(9) 0.0408(4) Uani 1 1 d . . .
C26 C 0.4419(2) 0.3780(2) 0.09883(11) 0.0450(4) Uani 1 1 d . . .
H26A H 0.4512 0.2794 0.0873 0.054 Uiso 1 1 calc R . .
C27 C 0.57221(19) 0.44912(17) 0.11996(9) 0.0370(3) Uani 1 1 d . . .
H27A H 0.6706 0.3982 0.1213 0.044 Uiso 1 1 calc R . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Rh1 C11 2.1279(13) . ?
Rh1 C1 2.1808(17) . ?
Rh1 C2 2.1878(17) . ?
Rh1 C4 2.1920(16) . ?
Rh1 C5 2.2166(15) . ?
Rh1 C3 2.2243(17) . ?
Rh1 C12 2.2430(13) . ?
Rh1 C19 2.2431(13) . ?
Rh1 Cl1 2.3983(4) . ?
Br1 C25 1.8949(16) . ?
O1 C20 1.2027(18) . ?
O2 C20 1.3374(18) . ?
O2 C21 1.449(2) . ?
C1 C5 1.408(2) . ?
C1 C2 1.450(3) . ?
C1 C6 1.503(3) . ?
C2 C3 1.411(2) . ?
C2 C7 1.489(3) . ?
C3 C4 1.431(2) . ?
C3 C8 1.496(3) . ?
C4 C5 1.432(2) . ?
C4 C9 1.497(2) . ?
C5 C10 1.493(3) . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 C12 1.3991(17) . ?
C11 C19 1.4304(18) . ?
C11 H11A 0.975(17) . ?
C12 C13 1.4707(19) . ?
C12 H12B 0.965(17) . ?
C13 C18 1.389(2) . ?
C13 C14 1.389(2) . ?
C14 C15 1.384(3) . ?
C14 H14A 0.9300 . ?
C15 C16 1.372(3) . ?
C15 H15A 0.9300 . ?
C16 C17 1.370(3) . ?
C16 H16A 0.9300 . ?
C17 C18 1.389(2) . ?
C17 H17A 0.9300 . ?
C18 H18A 0.9300 . ?
C19 C22 1.4938(19) . ?
C19 C20 1.4954(17) . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 C27 1.389(2) . ?
C22 C23 1.3923(19) . ?
C23 C24 1.383(2) . ?
C23 H23A 0.9300 . ?
C24 C25 1.374(2) . ?
C24 H24A 0.9300 . ?
C25 C26 1.377(2) . ?
C26 C27 1.384(2) . ?
C26 H26A 0.9300 . ?
C27 H27A 0.9300 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C11 Rh1 C1 155.43(6) . . ?
C11 Rh1 C2 149.12(6) . . ?
C1 Rh1 C2 38.76(7) . . ?
C11 Rh1 C4 98.34(6) . . ?
C1 Rh1 C4 63.41(6) . . ?
C2 Rh1 C4 63.36(6) . . ?
C11 Rh1 C5 118.25(6) . . ?
C1 Rh1 C5 37.34(6) . . ?
C2 Rh1 C5 63.33(7) . . ?
C4 Rh1 C5 37.89(6) . . ?
C11 Rh1 C3 113.19(6) . . ?
C1 Rh1 C3 63.28(6) . . ?
C2 Rh1 C3 37.29(6) . . ?
C4 Rh1 C3 37.81(6) . . ?
C5 Rh1 C3 62.86(6) . . ?
C11 Rh1 C12 37.22(5) . . ?
C1 Rh1 C12 164.04(6) . . ?
C2 Rh1 C12 125.40(6) . . ?
C4 Rh1 C12 114.91(5) . . ?
C5 Rh1 C12 149.28(6) . . ?
C3 Rh1 C12 105.05(6) . . ?
C11 Rh1 C19 38.09(5) . . ?
C1 Rh1 C19 129.76(6) . . ?
C2 Rh1 C19 167.99(6) . . ?
C4 Rh1 C19 110.38(5) . . ?
C5 Rh1 C19 105.22(6) . . ?
C3 Rh1 C19 142.68(5) . . ?
C12 Rh1 C19 66.19(5) . . ?
C11 Rh1 Cl1 108.49(4) . . ?
C1 Rh1 Cl1 91.79(5) . . ?
C2 Rh1 Cl1 90.66(5) . . ?
C4 Rh1 Cl1 152.89(4) . . ?
C5 Rh1 Cl1 124.86(5) . . ?
C3 Rh1 Cl1 122.68(4) . . ?
C12 Rh1 Cl1 85.74(4) . . ?
C19 Rh1 Cl1 93.63(3) . . ?
C20 O2 C21 115.90(13) . . ?
C5 C1 C2 108.00(15) . . ?
C5 C1 C6 126.17(18) . . ?
C2 C1 C6 125.68(18) . . ?
C5 C1 Rh1 72.71(9) . . ?
C2 C1 Rh1 70.88(9) . . ?
C6 C1 Rh1 125.51(14) . . ?
C3 C2 C1 107.78(14) . . ?
C3 C2 C7 126.75(19) . . ?
C1 C2 C7 125.20(19) . . ?
C3 C2 Rh1 72.76(10) . . ?
C1 C2 Rh1 70.36(10) . . ?
C7 C2 Rh1 127.01(15) . . ?
C2 C3 C4 108.06(14) . . ?
C2 C3 C8 126.35(16) . . ?
C4 C3 C8 125.53(16) . . ?
C2 C3 Rh1 69.95(10) . . ?
C4 C3 Rh1 69.88(9) . . ?
C8 C3 Rh1 127.88(13) . . ?
C3 C4 C5 107.98(14) . . ?
C3 C4 C9 125.60(16) . . ?
C5 C4 C9 125.58(16) . . ?
C3 C4 Rh1 72.32(9) . . ?
C5 C4 Rh1 71.98(9) . . ?
C9 C4 Rh1 129.62(13) . . ?
C1 C5 C4 108.03(14) . . ?
C1 C5 C10 126.99(18) . . ?
C4 C5 C10 124.87(17) . . ?
C1 C5 Rh1 69.95(9) . . ?
C4 C5 Rh1 70.12(9) . . ?
C10 C5 Rh1 128.39(14) . . ?
C1 C6 H6A 109.5 . . ?
C1 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C1 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C2 C7 H7A 109.5 . . ?
C2 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C2 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C3 C8 H8A 109.5 . . ?
C3 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C3 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C4 C9 H9A 109.5 . . ?
C4 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C4 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C5 C10 H10A 109.5 . . ?
C5 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C5 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C11 C19 119.93(12) . . ?
C12 C11 Rh1 75.86(8) . . ?
C19 C11 Rh1 75.32(8) . . ?
C12 C11 H11A 120.5(10) . . ?
C19 C11 H11A 119.1(10) . . ?
Rh1 C11 H11A 112.7(10) . . ?
C11 C12 C13 124.37(12) . . ?
C11 C12 Rh1 66.92(7) . . ?
C13 C12 Rh1 122.99(10) . . ?
C11 C12 H12B 118.6(10) . . ?
C13 C12 H12B 114.2(10) . . ?
Rh1 C12 H12B 96.7(10) . . ?
C18 C13 C14 118.20(14) . . ?
C18 C13 C12 123.78(12) . . ?
C14 C13 C12 117.93(14) . . ?
C15 C14 C13 120.60(18) . . ?
C15 C14 H14A 119.7 . . ?
C13 C14 H14A 119.7 . . ?
C16 C15 C14 120.42(17) . . ?
C16 C15 H15A 119.8 . . ?
C14 C15 H15A 119.8 . . ?
C17 C16 C15 119.94(18) . . ?
C17 C16 H16A 120.0 . . ?
C15 C16 H16A 120.0 . . ?
C16 C17 C18 120.03(18) . . ?
C16 C17 H17A 120.0 . . ?
C18 C17 H17A 120.0 . . ?
C17 C18 C13 120.78(15) . . ?
C17 C18 H18A 119.6 . . ?
C13 C18 H18A 119.6 . . ?
C11 C19 C22 121.38(11) . . ?
C11 C19 C20 113.62(11) . . ?
C22 C19 C20 116.49(11) . . ?
C11 C19 Rh1 66.59(7) . . ?
C22 C19 Rh1 116.82(8) . . ?
C20 C19 Rh1 112.14(9) . . ?
O1 C20 O2 122.88(12) . . ?
O1 C20 C19 124.67(13) . . ?
O2 C20 C19 112.45(12) . . ?
O2 C21 H21A 109.5 . . ?
O2 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
O2 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C27 C22 C23 118.08(13) . . ?
C27 C22 C19 119.19(12) . . ?
C23 C22 C19 122.65(13) . . ?
C24 C23 C22 121.01(14) . . ?
C24 C23 H23A 119.5 . . ?
C22 C23 H23A 119.5 . . ?
C25 C24 C23 119.19(14) . . ?
C25 C24 H24A 120.4 . . ?
C23 C24 H24A 120.4 . . ?
C24 C25 C26 121.49(15) . . ?
C24 C25 Br1 119.20(12) . . ?
C26 C25 Br1 119.31(13) . . ?
C25 C26 C27 118.64(16) . . ?
C25 C26 H26A 120.7 . . ?
C27 C26 H26A 120.7 . . ?
C26 C27 C22 121.52(14) . . ?
C26 C27 H27A 119.2 . . ?
C22 C27 H27A 119.2 . . ?

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
C11 Rh1 C1 C5 -8.2(2) . . . . ?
C2 Rh1 C1 C5 116.77(15) . . . . ?
C4 Rh1 C1 C5 36.99(10) . . . . ?
C3 Rh1 C1 C5 79.50(11) . . . . ?
C12 Rh1 C1 C5 124.9(2) . . . . ?
C19 Rh1 C1 C5 -58.18(12) . . . . ?
Cl1 Rh1 C1 C5 -154.40(10) . . . . ?
C11 Rh1 C1 C2 -124.95(15) . . . . ?
C4 Rh1 C1 C2 -79.78(11) . . . . ?
C5 Rh1 C1 C2 -116.77(15) . . . . ?
C3 Rh1 C1 C2 -37.27(10) . . . . ?
C12 Rh1 C1 C2 8.1(3) . . . . ?
C19 Rh1 C1 C2 -174.95(9) . . . . ?
Cl1 Rh1 C1 C2 88.83(9) . . . . ?
C11 Rh1 C1 C6 114.3(2) . . . . ?
C2 Rh1 C1 C6 -120.7(2) . . . . ?
C4 Rh1 C1 C6 159.5(2) . . . . ?
C5 Rh1 C1 C6 122.5(2) . . . . ?
C3 Rh1 C1 C6 -158.0(2) . . . . ?
C12 Rh1 C1 C6 -112.6(2) . . . . ?
C19 Rh1 C1 C6 64.3(2) . . . . ?
Cl1 Rh1 C1 C6 -31.91(18) . . . . ?
C5 C1 C2 C3 -0.1(2) . . . . ?
C6 C1 C2 C3 -175.89(19) . . . . ?
Rh1 C1 C2 C3 63.58(12) . . . . ?
C5 C1 C2 C7 174.29(19) . . . . ?
C6 C1 C2 C7 -1.5(3) . . . . ?
Rh1 C1 C2 C7 -122.0(2) . . . . ?
C5 C1 C2 Rh1 -63.68(12) . . . . ?
C6 C1 C2 Rh1 120.5(2) . . . . ?
C11 Rh1 C2 C3 21.62(17) . . . . ?
C1 Rh1 C2 C3 -116.76(14) . . . . ?
C4 Rh1 C2 C3 -36.85(9) . . . . ?
C5 Rh1 C2 C3 -79.45(10) . . . . ?
C12 Rh1 C2 C3 65.96(11) . . . . ?
C19 Rh1 C2 C3 -97.8(3) . . . . ?
Cl1 Rh1 C2 C3 151.20(9) . . . . ?
C11 Rh1 C2 C1 138.38(11) . . . . ?
C4 Rh1 C2 C1 79.91(10) . . . . ?
C5 Rh1 C2 C1 37.31(10) . . . . ?
C3 Rh1 C2 C1 116.76(14) . . . . ?
C12 Rh1 C2 C1 -177.28(9) . . . . ?
C19 Rh1 C2 C1 19.0(3) . . . . ?
Cl1 Rh1 C2 C1 -92.04(9) . . . . ?
C11 Rh1 C2 C7 -101.8(2) . . . . ?
C1 Rh1 C2 C7 119.8(2) . . . . ?
C4 Rh1 C2 C7 -160.3(2) . . . . ?
C5 Rh1 C2 C7 157.1(2) . . . . ?
C3 Rh1 C2 C7 -123.4(2) . . . . ?
C12 Rh1 C2 C7 -57.4(2) . . . . ?
C19 Rh1 C2 C7 138.8(3) . . . . ?
Cl1 Rh1 C2 C7 27.8(2) . . . . ?
C1 C2 C3 C4 -2.3(2) . . . . ?
C7 C2 C3 C4 -176.6(2) . . . . ?
Rh1 C2 C3 C4 59.72(12) . . . . ?
C1 C2 C3 C8 175.09(18) . . . . ?
C7 C2 C3 C8 0.8(3) . . . . ?
Rh1 C2 C3 C8 -122.88(19) . . . . ?
C1 C2 C3 Rh1 -62.02(12) . . . . ?
C7 C2 C3 Rh1 123.7(2) . . . . ?
C11 Rh1 C3 C2 -168.13(9) . . . . ?
C1 Rh1 C3 C2 38.74(10) . . . . ?
C4 Rh1 C3 C2 119.02(14) . . . . ?
C5 Rh1 C3 C2 80.83(11) . . . . ?
C12 Rh1 C3 C2 -129.57(10) . . . . ?
C19 Rh1 C3 C2 160.12(9) . . . . ?
Cl1 Rh1 C3 C2 -34.91(11) . . . . ?
C11 Rh1 C3 C4 72.85(10) . . . . ?
C1 Rh1 C3 C4 -80.28(10) . . . . ?
C2 Rh1 C3 C4 -119.02(14) . . . . ?
C5 Rh1 C3 C4 -38.20(9) . . . . ?
C12 Rh1 C3 C4 111.41(9) . . . . ?
C19 Rh1 C3 C4 41.09(13) . . . . ?
Cl1 Rh1 C3 C4 -153.93(8) . . . . ?
C11 Rh1 C3 C8 -47.09(17) . . . . ?
C1 Rh1 C3 C8 159.78(18) . . . . ?
C2 Rh1 C3 C8 121.0(2) . . . . ?
C4 Rh1 C3 C8 -119.9(2) . . . . ?
C5 Rh1 C3 C8 -158.13(18) . . . . ?
C12 Rh1 C3 C8 -8.53(17) . . . . ?
C19 Rh1 C3 C8 -78.84(18) . . . . ?
Cl1 Rh1 C3 C8 86.13(16) . . . . ?
C2 C3 C4 C5 3.82(19) . . . . ?
C8 C3 C4 C5 -173.60(17) . . . . ?
Rh1 C3 C4 C5 63.59(11) . . . . ?
C2 C3 C4 C9 173.72(17) . . . . ?
C8 C3 C4 C9 -3.7(3) . . . . ?
Rh1 C3 C4 C9 -126.51(18) . . . . ?
C2 C3 C4 Rh1 -59.77(12) . . . . ?
C8 C3 C4 Rh1 122.81(18) . . . . ?
C11 Rh1 C4 C3 -117.42(9) . . . . ?
C1 Rh1 C4 C3 79.92(10) . . . . ?
C2 Rh1 C4 C3 36.35(10) . . . . ?
C5 Rh1 C4 C3 116.38(14) . . . . ?
C12 Rh1 C4 C3 -82.44(10) . . . . ?
C19 Rh1 C4 C3 -154.84(9) . . . . ?
Cl1 Rh1 C4 C3 54.24(14) . . . . ?
C11 Rh1 C4 C5 126.20(10) . . . . ?
C1 Rh1 C4 C5 -36.46(10) . . . . ?
C2 Rh1 C4 C5 -80.04(11) . . . . ?
C3 Rh1 C4 C5 -116.38(14) . . . . ?
C12 Rh1 C4 C5 161.18(9) . . . . ?
C19 Rh1 C4 C5 88.78(10) . . . . ?
Cl1 Rh1 C4 C5 -62.14(14) . . . . ?
C11 Rh1 C4 C9 4.53(17) . . . . ?
C1 Rh1 C4 C9 -158.13(19) . . . . ?
C2 Rh1 C4 C9 158.30(19) . . . . ?
C5 Rh1 C4 C9 -121.7(2) . . . . ?
C3 Rh1 C4 C9 122.0(2) . . . . ?
C12 Rh1 C4 C9 39.51(18) . . . . ?
C19 Rh1 C4 C9 -32.89(18) . . . . ?
Cl1 Rh1 C4 C9 176.19(12) . . . . ?
C2 C1 C5 C4 2.5(2) . . . . ?
C6 C1 C5 C4 178.22(19) . . . . ?
Rh1 C1 C5 C4 -60.04(12) . . . . ?
C2 C1 C5 C10 -173.95(18) . . . . ?
C6 C1 C5 C10 1.8(3) . . . . ?
Rh1 C1 C5 C10 123.55(19) . . . . ?
C2 C1 C5 Rh1 62.50(12) . . . . ?
C6 C1 C5 Rh1 -121.7(2) . . . . ?
C3 C4 C5 C1 -3.88(19) . . . . ?
C9 C4 C5 C1 -173.79(17) . . . . ?
Rh1 C4 C5 C1 59.93(12) . . . . ?
C3 C4 C5 C10 172.62(17) . . . . ?
C9 C4 C5 C10 2.7(3) . . . . ?
Rh1 C4 C5 C10 -123.57(18) . . . . ?
C3 C4 C5 Rh1 -63.81(11) . . . . ?
C9 C4 C5 Rh1 126.29(18) . . . . ?
C11 Rh1 C5 C1 176.15(10) . . . . ?
C2 Rh1 C5 C1 -38.72(11) . . . . ?
C4 Rh1 C5 C1 -118.84(15) . . . . ?
C3 Rh1 C5 C1 -80.73(11) . . . . ?
C12 Rh1 C5 C1 -153.78(11) . . . . ?
C19 Rh1 C5 C1 137.39(10) . . . . ?
Cl1 Rh1 C5 C1 31.75(12) . . . . ?
C11 Rh1 C5 C4 -65.01(11) . . . . ?
C1 Rh1 C5 C4 118.84(15) . . . . ?
C2 Rh1 C5 C4 80.12(11) . . . . ?
C3 Rh1 C5 C4 38.10(9) . . . . ?
C12 Rh1 C5 C4 -34.95(16) . . . . ?
C19 Rh1 C5 C4 -103.77(10) . . . . ?
Cl1 Rh1 C5 C4 150.59(8) . . . . ?
C11 Rh1 C5 C10 54.3(2) . . . . ?
C1 Rh1 C5 C10 -121.9(2) . . . . ?
C2 Rh1 C5 C10 -160.6(2) . . . . ?
C4 Rh1 C5 C10 119.3(2) . . . . ?
C3 Rh1 C5 C10 157.4(2) . . . . ?
C12 Rh1 C5 C10 84.3(2) . . . . ?
C19 Rh1 C5 C10 15.52(19) . . . . ?
Cl1 Rh1 C5 C10 -90.12(19) . . . . ?
C1 Rh1 C11 C12 160.59(14) . . . . ?
C2 Rh1 C11 C12 70.38(14) . . . . ?
C4 Rh1 C11 C12 120.73(9) . . . . ?
C5 Rh1 C11 C12 154.97(9) . . . . ?
C3 Rh1 C11 C12 84.43(9) . . . . ?
C19 Rh1 C11 C12 -126.71(12) . . . . ?
Cl1 Rh1 C11 C12 -55.27(8) . . . . ?
C1 Rh1 C11 C19 -72.70(16) . . . . ?
C2 Rh1 C11 C19 -162.91(11) . . . . ?
C4 Rh1 C11 C19 -112.56(8) . . . . ?
C5 Rh1 C11 C19 -78.32(9) . . . . ?
C3 Rh1 C11 C19 -148.85(8) . . . . ?
C12 Rh1 C11 C19 126.71(12) . . . . ?
Cl1 Rh1 C11 C19 71.44(7) . . . . ?
C19 C11 C12 C13 -178.67(13) . . . . ?
Rh1 C11 C12 C13 -115.19(13) . . . . ?
C19 C11 C12 Rh1 -63.48(11) . . . . ?
C1 Rh1 C12 C11 -149.84(19) . . . . ?
C2 Rh1 C12 C11 -143.63(9) . . . . ?
C4 Rh1 C12 C11 -69.68(10) . . . . ?
C5 Rh1 C12 C11 -46.86(15) . . . . ?
C3 Rh1 C12 C11 -108.68(9) . . . . ?
C19 Rh1 C12 C11 32.72(8) . . . . ?
Cl1 Rh1 C12 C11 128.59(8) . . . . ?
C11 Rh1 C12 C13 117.07(14) . . . . ?
C1 Rh1 C12 C13 -32.8(3) . . . . ?
C2 Rh1 C12 C13 -26.56(13) . . . . ?
C4 Rh1 C12 C13 47.38(12) . . . . ?
C5 Rh1 C12 C13 70.21(16) . . . . ?
C3 Rh1 C12 C13 8.39(12) . . . . ?
C19 Rh1 C12 C13 149.78(12) . . . . ?
Cl1 Rh1 C12 C13 -114.34(10) . . . . ?
C11 C12 C13 C18 -2.1(2) . . . . ?
Rh1 C12 C13 C18 -85.11(17) . . . . ?
C11 C12 C13 C14 -178.63(15) . . . . ?
Rh1 C12 C13 C14 98.39(15) . . . . ?
C18 C13 C14 C15 -1.0(3) . . . . ?
C12 C13 C14 C15 175.69(17) . . . . ?
C13 C14 C15 C16 0.6(3) . . . . ?
C14 C15 C16 C17 0.7(4) . . . . ?
C15 C16 C17 C18 -1.4(3) . . . . ?
C16 C17 C18 C13 0.9(3) . . . . ?
C14 C13 C18 C17 0.3(3) . . . . ?
C12 C13 C18 C17 -176.22(17) . . . . ?
C12 C11 C19 C22 -44.42(19) . . . . ?
Rh1 C11 C19 C22 -108.18(11) . . . . ?
C12 C11 C19 C20 168.76(13) . . . . ?
Rh1 C11 C19 C20 105.00(11) . . . . ?
C12 C11 C19 Rh1 63.76(12) . . . . ?
C1 Rh1 C19 C11 148.91(8) . . . . ?
C2 Rh1 C19 C11 133.5(3) . . . . ?
C4 Rh1 C19 C11 77.10(8) . . . . ?
C5 Rh1 C19 C11 116.62(8) . . . . ?
C3 Rh1 C19 C11 51.64(12) . . . . ?
C12 Rh1 C19 C11 -32.01(7) . . . . ?
Cl1 Rh1 C19 C11 -115.73(7) . . . . ?
C11 Rh1 C19 C22 114.64(12) . . . . ?
C1 Rh1 C19 C22 -96.45(11) . . . . ?
C2 Rh1 C19 C22 -111.8(3) . . . . ?
C4 Rh1 C19 C22 -168.26(9) . . . . ?
C5 Rh1 C19 C22 -128.74(10) . . . . ?
C3 Rh1 C19 C22 166.28(9) . . . . ?
C12 Rh1 C19 C22 82.63(10) . . . . ?
Cl1 Rh1 C19 C22 -1.09(9) . . . . ?
C11 Rh1 C19 C20 -107.17(12) . . . . ?
C1 Rh1 C19 C20 41.74(12) . . . . ?
C2 Rh1 C19 C20 26.4(3) . . . . ?
C4 Rh1 C19 C20 -30.08(11) . . . . ?
C5 Rh1 C19 C20 9.45(11) . . . . ?
C3 Rh1 C19 C20 -55.53(13) . . . . ?
C12 Rh1 C19 C20 -139.18(10) . . . . ?
Cl1 Rh1 C19 C20 137.10(9) . . . . ?
C21 O2 C20 O1 3.5(2) . . . . ?
C21 O2 C20 C19 -176.68(15) . . . . ?
C11 C19 C20 O1 1.1(2) . . . . ?
C22 C19 C20 O1 -147.42(15) . . . . ?
Rh1 C19 C20 O1 74.25(17) . . . . ?
C11 C19 C20 O2 -178.70(13) . . . . ?
C22 C19 C20 O2 32.77(18) . . . . ?
Rh1 C19 C20 O2 -105.57(13) . . . . ?
C11 C19 C22 C27 -34.91(18) . . . . ?
C20 C19 C22 C27 111.02(14) . . . . ?
Rh1 C19 C22 C27 -112.61(12) . . . . ?
C11 C19 C22 C23 148.59(13) . . . . ?
C20 C19 C22 C23 -65.48(17) . . . . ?
Rh1 C19 C22 C23 70.89(14) . . . . ?
C27 C22 C23 C24 0.1(2) . . . . ?
C19 C22 C23 C24 176.62(13) . . . . ?
C22 C23 C24 C25 2.1(2) . . . . ?
C23 C24 C25 C26 -2.6(2) . . . . ?
C23 C24 C25 Br1 177.71(11) . . . . ?
C24 C25 C26 C27 0.8(2) . . . . ?
Br1 C25 C26 C27 -179.52(12) . . . . ?
C25 C26 C27 C22 1.5(2) . . . . ?
C23 C22 C27 C26 -2.0(2) . . . . ?
C19 C22 C27 C26 -178.62(14) . . . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        30.57
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         0.594
_refine_diff_density_min         -1.051
_refine_diff_density_rms         0.195

