# Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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_oka002p
_database_code_depnum_ccdc_archive 'CCDC 2063582'
loop_
_audit_author_name
_audit_author_address
'Katsuhiko Takeuchi'
;AIST
Japan
;
_audit_update_record             
;
2021-02-22 deposited with the CCDC.	2021-07-27 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/1
_shelx_SHELXL_version_number     2018/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C37 H31 I2 O P2 Rh, C H2 Cl2'
_chemical_formula_sum            'C38 H33 Cl2 I2 O P2 Rh'
_chemical_formula_weight         995.19

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'
I I -0.4742 1.8119 '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'
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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'

_cell_length_a                   10.1542(2)
_cell_length_b                   13.7673(3)
_cell_length_c                   14.3456(3)
_cell_angle_alpha                72.6361(19)
_cell_angle_beta                 88.2388(16)
_cell_angle_gamma                74.6748(18)
_cell_volume                     1843.48(7)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    26257
_cell_measurement_theta_min      2.1050
_cell_measurement_theta_max      30.3580
_cell_measurement_temperature    93(2)

_exptl_crystal_description       Block
_exptl_crystal_colour            Orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.793
_exptl_crystal_F_000             968
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.210
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.180
_exptl_absorpt_coefficient_mu    2.399
_shelx_estimated_absorpt_T_min   0.633
_shelx_estimated_absorpt_T_max   0.672
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.63902
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.84a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_diffrn_ambient_temperature      93(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Rotating-anode X-ray tube (dual wavelength)'
_diffrn_measurement_device_type  'XtaLAB AFC10 (RCD3): quarter-chi single'
_diffrn_measurement_method       'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 5.8140
_diffrn_reflns_number            29529
_diffrn_reflns_av_unetI/netI     0.0184
_diffrn_reflns_av_R_equivalents  0.0243
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         2.496
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_full        24.999
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.996
_reflns_number_total             6457
_reflns_number_gt                6204
_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       'CrysAlisPro 1.171.40.84a (Rigaku OD, 2020)'
_computing_cell_refinement       'CrysAlisPro 1.171.40.84a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.40.84a (Rigaku OD, 2020)'
_computing_structure_solution    'CrysAlisPro 1.171.40.84a (Rigaku OD, 2020)'
_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_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)+9.2676P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6457
_refine_ls_number_parameters     419
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0256
_refine_ls_R_factor_gt           0.0247
_refine_ls_wR_factor_ref         0.0680
_refine_ls_wR_factor_gt          0.0678
_refine_ls_goodness_of_fit_ref   1.305
_refine_ls_restrained_S_all      1.305
_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 0.64284(3) 0.38198(2) 0.29669(2) 0.00785(8) Uani 1 1 d . . . . .
H1 H 0.592(6) 0.370(4) 0.209(4) 0.034(15) Uiso 1 1 d . . . . .
C1 C 0.4631(5) 0.4561(3) 0.3080(3) 0.0126(9) Uani 1 1 d . . . . .
O1 O 0.3524(3) 0.5004(2) 0.3092(2) 0.0174(7) Uani 1 1 d . . . . .
I1 I 0.71563(3) 0.40964(2) 0.47103(2) 0.01296(7) Uani 1 1 d . . . . .
I2 I 0.88012(3) 0.27268(2) 0.24530(2) 0.01420(8) Uani 1 1 d . . . . .
P1 P 0.69211(11) 0.53792(8) 0.19575(8) 0.0097(2) Uani 1 1 d . . . . .
C2 C 0.8247(4) 0.5855(3) 0.2382(3) 0.0107(8) Uani 1 1 d . . . . .
C3 C 0.9354(4) 0.5166(3) 0.3001(3) 0.0138(9) Uani 1 1 d . . . . .
H3 H 0.942558 0.443007 0.322120 0.017 Uiso 1 1 calc R U . . .
C4 C 1.0348(4) 0.5549(4) 0.3295(3) 0.0156(9) Uani 1 1 d . . . . .
H4 H 1.108647 0.507663 0.372913 0.019 Uiso 1 1 calc R U . . .
C5 C 1.0272(4) 0.6621(4) 0.2959(3) 0.0166(9) Uani 1 1 d . . . . .
H5 H 1.096608 0.687927 0.315142 0.020 Uiso 1 1 calc R U . . .
C6 C 0.9182(5) 0.7309(4) 0.2343(3) 0.0168(9) Uani 1 1 d . . . . .
H6 H 0.912962 0.804180 0.211329 0.020 Uiso 1 1 calc R U . . .
C7 C 0.8164(4) 0.6941(3) 0.2057(3) 0.0143(9) Uani 1 1 d . . . . .
H7 H 0.741070 0.742175 0.164174 0.017 Uiso 1 1 calc R U . . .
C8 C 0.5430(4) 0.6518(3) 0.1791(3) 0.0115(8) Uani 1 1 d . . . . .
C9 C 0.4769(5) 0.7109(4) 0.0879(3) 0.0194(10) Uani 1 1 d . . . . .
H9 H 0.509359 0.692989 0.030778 0.023 Uiso 1 1 calc R U . . .
C10 C 0.3632(5) 0.7963(4) 0.0811(4) 0.0281(12) Uani 1 1 d . . . . .
H10 H 0.319307 0.837481 0.019029 0.034 Uiso 1 1 calc R U . . .
C11 C 0.3142(5) 0.8213(4) 0.1647(4) 0.0247(11) Uani 1 1 d . . . . .
H11 H 0.235939 0.878897 0.159860 0.030 Uiso 1 1 calc R U . . .
C12 C 0.3791(5) 0.7624(4) 0.2551(4) 0.0216(10) Uani 1 1 d . . . . .
H12 H 0.344784 0.779215 0.312368 0.026 Uiso 1 1 calc R U . . .
C13 C 0.4934(4) 0.6795(3) 0.2621(3) 0.0156(9) Uani 1 1 d . . . . .
H13 H 0.539040 0.640708 0.324157 0.019 Uiso 1 1 calc R U . . .
C14 C 0.7351(4) 0.5371(3) 0.0715(3) 0.0137(9) Uani 1 1 d . . . . .
C15 C 0.6819(6) 0.4797(4) 0.0254(4) 0.0301(12) Uani 1 1 d . . . . .
H15 H 0.625059 0.437669 0.060053 0.036 Uiso 1 1 calc R U . . .
C16 C 0.7101(6) 0.4824(5) -0.0709(4) 0.0326(13) Uani 1 1 d . . . . .
H16 H 0.672528 0.442379 -0.101170 0.039 Uiso 1 1 calc R U . . .
C17 C 0.7920(5) 0.5426(4) -0.1220(3) 0.0261(11) Uani 1 1 d . . . . .
H17 H 0.810040 0.545758 -0.188013 0.031 Uiso 1 1 calc R U . . .
C18 C 0.8471(7) 0.5978(6) -0.0765(4) 0.055(2) Uani 1 1 d . . . . .
H18 H 0.905235 0.638743 -0.111008 0.065 Uiso 1 1 calc R U . . .
C19 C 0.8191(7) 0.5950(5) 0.0197(4) 0.0422(16) Uani 1 1 d . . . . .
H19 H 0.858941 0.633837 0.050025 0.051 Uiso 1 1 calc R U . . .
P2 P 0.59565(11) 0.22073(8) 0.38369(8) 0.0095(2) Uani 1 1 d . . . . .
C20 C 0.4219(4) 0.2400(3) 0.4271(3) 0.0110(8) Uani 1 1 d . . . . .
C21 C 0.3256(5) 0.1997(4) 0.3964(3) 0.0172(9) Uani 1 1 d . . . . .
H21 H 0.349798 0.159348 0.352060 0.021 Uiso 1 1 calc R U . . .
C22 C 0.1937(5) 0.2178(4) 0.4297(4) 0.0204(10) Uani 1 1 d . . . . .
H22 H 0.128167 0.190601 0.407306 0.025 Uiso 1 1 calc R U . . .
C23 C 0.1579(5) 0.2751(4) 0.4954(3) 0.0178(9) Uani 1 1 d . . . . .
H23 H 0.068318 0.286612 0.518791 0.021 Uiso 1 1 calc R U . . .
C24 C 0.2535(4) 0.3157(3) 0.5267(3) 0.0149(9) Uani 1 1 d . . . . .
H24 H 0.228791 0.355526 0.571427 0.018 Uiso 1 1 calc R U . . .
C25 C 0.3851(4) 0.2988(3) 0.4936(3) 0.0137(9) Uani 1 1 d . . . . .
H25 H 0.450044 0.326682 0.515643 0.016 Uiso 1 1 calc R U . . .
C26 C 0.6021(4) 0.1324(3) 0.3090(3) 0.0119(8) Uani 1 1 d . . . . .
C27 C 0.6684(4) 0.0251(3) 0.3445(3) 0.0145(9) Uani 1 1 d . . . . .
H27 H 0.716756 -0.002742 0.406491 0.017 Uiso 1 1 calc R U . . .
C28 C 0.6636(5) -0.0413(4) 0.2886(4) 0.0216(10) Uani 1 1 d . . . . .
H28 H 0.708642 -0.114504 0.312796 0.026 Uiso 1 1 calc R U . . .
C29 C 0.5937(5) -0.0013(4) 0.1982(3) 0.0226(11) Uani 1 1 d . . . . .
H29 H 0.590671 -0.047143 0.160726 0.027 Uiso 1 1 calc R U . . .
C30 C 0.5283(5) 0.1048(4) 0.1624(3) 0.0199(10) Uani 1 1 d . . . . .
H30 H 0.480047 0.131960 0.100433 0.024 Uiso 1 1 calc R U . . .
C31 C 0.5330(4) 0.1727(3) 0.2175(3) 0.0154(9) Uani 1 1 d . . . . .
H31 H 0.489057 0.246007 0.192480 0.019 Uiso 1 1 calc R U . . .
C32 C 0.7007(4) 0.1386(3) 0.4953(3) 0.0130(9) Uani 1 1 d . . . . .
C33 C 0.8396(5) 0.1336(4) 0.5036(3) 0.0193(10) Uani 1 1 d . . . . .
H33 H 0.880278 0.174472 0.451306 0.023 Uiso 1 1 calc R U . . .
C34 C 0.9180(5) 0.0695(4) 0.5876(4) 0.0258(11) Uani 1 1 d . . . . .
H34 H 1.012738 0.064850 0.591861 0.031 Uiso 1 1 calc R U . . .
C35 C 0.8583(5) 0.0122(4) 0.6653(3) 0.0205(10) Uani 1 1 d . . . . .
H35 H 0.911644 -0.030603 0.723474 0.025 Uiso 1 1 calc R U . . .
C36 C 0.7216(5) 0.0175(3) 0.6581(3) 0.0182(10) Uani 1 1 d . . . . .
H36 H 0.680792 -0.021573 0.711677 0.022 Uiso 1 1 calc R U . . .
C37 C 0.6428(5) 0.0795(3) 0.5732(3) 0.0159(9) Uani 1 1 d . . . . .
H37 H 0.549005 0.081361 0.568409 0.019 Uiso 1 1 calc R U . . .
C38 C 0.9867(6) 0.1493(4) 0.0334(4) 0.0302(12) Uani 1 1 d . . . . .
H38 H 0.966930 0.160623 -0.036798 0.036 Uiso 1 1 calc R U . . .
H38A H 0.939286 0.214830 0.048954 0.036 Uiso 1 1 calc R U . . .
Cl1 Cl 0.92328(14) 0.04407(10) 0.10461(9) 0.0316(3) Uani 1 1 d . . . . .
Cl2 Cl 1.16388(16) 0.12315(12) 0.05539(11) 0.0446(4) 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
Rh1 C1 1.870(4) . ?
Rh1 P2 2.3638(11) . ?
Rh1 P1 2.3715(11) . ?
Rh1 I2 2.6925(4) . ?
Rh1 I1 2.7887(4) . ?
Rh1 H1 1.45(6) . ?
C1 O1 1.131(5) . ?
P1 C14 1.825(4) . ?
P1 C8 1.831(4) . ?
P1 C2 1.836(4) . ?
C2 C3 1.395(6) . ?
C2 C7 1.407(6) . ?
C3 C4 1.384(6) . ?
C3 H3 0.9500 . ?
C4 C5 1.391(6) . ?
C4 H4 0.9500 . ?
C5 C6 1.382(7) . ?
C5 H5 0.9500 . ?
C6 C7 1.386(6) . ?
C6 H6 0.9500 . ?
C7 H7 0.9500 . ?
C8 C13 1.397(6) . ?
C8 C9 1.397(6) . ?
C9 C10 1.395(7) . ?
C9 H9 0.9500 . ?
C10 C11 1.387(7) . ?
C10 H10 0.9500 . ?
C11 C12 1.385(7) . ?
C11 H11 0.9500 . ?
C12 C13 1.378(6) . ?
C12 H12 0.9500 . ?
C13 H13 0.9500 . ?
C14 C19 1.373(7) . ?
C14 C15 1.382(7) . ?
C15 C16 1.394(7) . ?
C15 H15 0.9500 . ?
C16 C17 1.371(7) . ?
C16 H16 0.9500 . ?
C17 C18 1.363(7) . ?
C17 H17 0.9500 . ?
C18 C19 1.392(7) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
P2 C20 1.832(4) . ?
P2 C26 1.834(4) . ?
P2 C32 1.835(4) . ?
C20 C21 1.384(6) . ?
C20 C25 1.408(6) . ?
C21 C22 1.393(6) . ?
C21 H21 0.9500 . ?
C22 C23 1.383(7) . ?
C22 H22 0.9500 . ?
C23 C24 1.386(6) . ?
C23 H23 0.9500 . ?
C24 C25 1.389(6) . ?
C24 H24 0.9500 . ?
C25 H25 0.9500 . ?
C26 C31 1.392(6) . ?
C26 C27 1.394(6) . ?
C27 C28 1.394(6) . ?
C27 H27 0.9500 . ?
C28 C29 1.383(7) . ?
C28 H28 0.9500 . ?
C29 C30 1.378(7) . ?
C29 H29 0.9500 . ?
C30 C31 1.403(6) . ?
C30 H30 0.9500 . ?
C31 H31 0.9500 . ?
C32 C37 1.387(6) . ?
C32 C33 1.401(6) . ?
C33 C34 1.384(7) . ?
C33 H33 0.9500 . ?
C34 C35 1.386(7) . ?
C34 H34 0.9500 . ?
C35 C36 1.376(7) . ?
C35 H35 0.9500 . ?
C36 C37 1.390(6) . ?
C36 H36 0.9500 . ?
C37 H37 0.9500 . ?
C38 Cl2 1.758(6) . ?
C38 Cl1 1.768(6) . ?
C38 H38 0.9900 . ?
C38 H38A 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
C1 Rh1 P2 90.61(13) . . ?
C1 Rh1 P1 91.43(13) . . ?
P2 Rh1 P1 174.40(4) . . ?
C1 Rh1 I2 167.85(13) . . ?
P2 Rh1 I2 89.33(3) . . ?
P1 Rh1 I2 87.58(3) . . ?
C1 Rh1 I1 88.86(13) . . ?
P2 Rh1 I1 90.73(3) . . ?
P1 Rh1 I1 94.52(3) . . ?
I2 Rh1 I1 103.290(13) . . ?
C1 Rh1 H1 86(2) . . ?
P2 Rh1 H1 88(2) . . ?
P1 Rh1 H1 87(2) . . ?
I2 Rh1 H1 82(2) . . ?
I1 Rh1 H1 175(2) . . ?
O1 C1 Rh1 175.6(4) . . ?
C14 P1 C8 104.21(19) . . ?
C14 P1 C2 104.72(19) . . ?
C8 P1 C2 101.34(19) . . ?
C14 P1 Rh1 115.11(14) . . ?
C8 P1 Rh1 110.72(14) . . ?
C2 P1 Rh1 118.93(14) . . ?
C3 C2 C7 119.1(4) . . ?
C3 C2 P1 121.7(3) . . ?
C7 C2 P1 119.2(3) . . ?
C4 C3 C2 120.3(4) . . ?
C4 C3 H3 119.9 . . ?
C2 C3 H3 119.9 . . ?
C3 C4 C5 120.4(4) . . ?
C3 C4 H4 119.8 . . ?
C5 C4 H4 119.8 . . ?
C6 C5 C4 119.7(4) . . ?
C6 C5 H5 120.2 . . ?
C4 C5 H5 120.2 . . ?
C5 C6 C7 120.6(4) . . ?
C5 C6 H6 119.7 . . ?
C7 C6 H6 119.7 . . ?
C6 C7 C2 119.9(4) . . ?
C6 C7 H7 120.0 . . ?
C2 C7 H7 120.0 . . ?
C13 C8 C9 119.1(4) . . ?
C13 C8 P1 117.8(3) . . ?
C9 C8 P1 123.1(3) . . ?
C10 C9 C8 119.8(4) . . ?
C10 C9 H9 120.1 . . ?
C8 C9 H9 120.1 . . ?
C11 C10 C9 120.2(4) . . ?
C11 C10 H10 119.9 . . ?
C9 C10 H10 119.9 . . ?
C12 C11 C10 120.1(4) . . ?
C12 C11 H11 120.0 . . ?
C10 C11 H11 120.0 . . ?
C13 C12 C11 120.0(4) . . ?
C13 C12 H12 120.0 . . ?
C11 C12 H12 120.0 . . ?
C12 C13 C8 120.8(4) . . ?
C12 C13 H13 119.6 . . ?
C8 C13 H13 119.6 . . ?
C19 C14 C15 117.6(4) . . ?
C19 C14 P1 121.2(4) . . ?
C15 C14 P1 121.2(3) . . ?
C14 C15 C16 121.2(4) . . ?
C14 C15 H15 119.4 . . ?
C16 C15 H15 119.4 . . ?
C17 C16 C15 120.2(5) . . ?
C17 C16 H16 119.9 . . ?
C15 C16 H16 119.9 . . ?
C18 C17 C16 119.0(5) . . ?
C18 C17 H17 120.5 . . ?
C16 C17 H17 120.5 . . ?
C17 C18 C19 120.8(5) . . ?
C17 C18 H18 119.6 . . ?
C19 C18 H18 119.6 . . ?
C14 C19 C18 121.1(5) . . ?
C14 C19 H19 119.5 . . ?
C18 C19 H19 119.5 . . ?
C20 P2 C26 103.51(19) . . ?
C20 P2 C32 102.59(19) . . ?
C26 P2 C32 105.27(19) . . ?
C20 P2 Rh1 112.32(13) . . ?
C26 P2 Rh1 113.40(14) . . ?
C32 P2 Rh1 118.20(14) . . ?
C21 C20 C25 119.0(4) . . ?
C21 C20 P2 122.5(3) . . ?
C25 C20 P2 118.5(3) . . ?
C20 C21 C22 120.7(4) . . ?
C20 C21 H21 119.6 . . ?
C22 C21 H21 119.6 . . ?
C23 C22 C21 120.2(4) . . ?
C23 C22 H22 119.9 . . ?
C21 C22 H22 119.9 . . ?
C22 C23 C24 119.6(4) . . ?
C22 C23 H23 120.2 . . ?
C24 C23 H23 120.2 . . ?
C23 C24 C25 120.8(4) . . ?
C23 C24 H24 119.6 . . ?
C25 C24 H24 119.6 . . ?
C24 C25 C20 119.7(4) . . ?
C24 C25 H25 120.1 . . ?
C20 C25 H25 120.1 . . ?
C31 C26 C27 119.7(4) . . ?
C31 C26 P2 119.1(3) . . ?
C27 C26 P2 121.1(3) . . ?
C28 C27 C26 119.7(4) . . ?
C28 C27 H27 120.2 . . ?
C26 C27 H27 120.2 . . ?
C29 C28 C27 120.4(4) . . ?
C29 C28 H28 119.8 . . ?
C27 C28 H28 119.8 . . ?
C30 C29 C28 120.2(4) . . ?
C30 C29 H29 119.9 . . ?
C28 C29 H29 119.9 . . ?
C29 C30 C31 120.0(4) . . ?
C29 C30 H30 120.0 . . ?
C31 C30 H30 120.0 . . ?
C26 C31 C30 119.9(4) . . ?
C26 C31 H31 120.1 . . ?
C30 C31 H31 120.1 . . ?
C37 C32 C33 118.8(4) . . ?
C37 C32 P2 119.9(3) . . ?
C33 C32 P2 121.2(3) . . ?
C34 C33 C32 120.5(4) . . ?
C34 C33 H33 119.8 . . ?
C32 C33 H33 119.8 . . ?
C33 C34 C35 120.0(5) . . ?
C33 C34 H34 120.0 . . ?
C35 C34 H34 120.0 . . ?
C36 C35 C34 119.9(4) . . ?
C36 C35 H35 120.1 . . ?
C34 C35 H35 120.1 . . ?
C35 C36 C37 120.5(4) . . ?
C35 C36 H36 119.7 . . ?
C37 C36 H36 119.7 . . ?
C32 C37 C36 120.2(4) . . ?
C32 C37 H37 119.9 . . ?
C36 C37 H37 119.9 . . ?
Cl2 C38 Cl1 111.5(3) . . ?
Cl2 C38 H38 109.3 . . ?
Cl1 C38 H38 109.3 . . ?
Cl2 C38 H38A 109.3 . . ?
Cl1 C38 H38A 109.3 . . ?
H38 C38 H38A 108.0 . . ?

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
C14 P1 C2 C3 -101.1(4) . . . . ?
C8 P1 C2 C3 150.8(3) . . . . ?
Rh1 P1 C2 C3 29.2(4) . . . . ?
C14 P1 C2 C7 77.4(4) . . . . ?
C8 P1 C2 C7 -30.8(4) . . . . ?
Rh1 P1 C2 C7 -152.3(3) . . . . ?
C7 C2 C3 C4 0.5(6) . . . . ?
P1 C2 C3 C4 179.0(3) . . . . ?
C2 C3 C4 C5 -1.5(6) . . . . ?
C3 C4 C5 C6 1.3(6) . . . . ?
C4 C5 C6 C7 0.0(6) . . . . ?
C5 C6 C7 C2 -1.0(6) . . . . ?
C3 C2 C7 C6 0.8(6) . . . . ?
P1 C2 C7 C6 -177.7(3) . . . . ?
C14 P1 C8 C13 -174.0(3) . . . . ?
C2 P1 C8 C13 -65.5(4) . . . . ?
Rh1 P1 C8 C13 61.6(3) . . . . ?
C14 P1 C8 C9 6.5(4) . . . . ?
C2 P1 C8 C9 115.1(4) . . . . ?
Rh1 P1 C8 C9 -117.8(3) . . . . ?
C13 C8 C9 C10 0.1(7) . . . . ?
P1 C8 C9 C10 179.6(4) . . . . ?
C8 C9 C10 C11 -1.3(8) . . . . ?
C9 C10 C11 C12 0.9(8) . . . . ?
C10 C11 C12 C13 0.6(7) . . . . ?
C11 C12 C13 C8 -1.8(7) . . . . ?
C9 C8 C13 C12 1.4(6) . . . . ?
P1 C8 C13 C12 -178.1(3) . . . . ?
C8 P1 C14 C19 86.9(5) . . . . ?
C2 P1 C14 C19 -19.2(5) . . . . ?
Rh1 P1 C14 C19 -151.7(4) . . . . ?
C8 P1 C14 C15 -91.8(4) . . . . ?
C2 P1 C14 C15 162.1(4) . . . . ?
Rh1 P1 C14 C15 29.6(5) . . . . ?
C19 C14 C15 C16 -1.4(8) . . . . ?
P1 C14 C15 C16 177.4(4) . . . . ?
C14 C15 C16 C17 0.0(9) . . . . ?
C15 C16 C17 C18 1.2(9) . . . . ?
C16 C17 C18 C19 -1.1(11) . . . . ?
C15 C14 C19 C18 1.5(10) . . . . ?
P1 C14 C19 C18 -177.2(6) . . . . ?
C17 C18 C19 C14 -0.3(12) . . . . ?
C26 P2 C20 C21 -5.1(4) . . . . ?
C32 P2 C20 C21 -114.5(4) . . . . ?
Rh1 P2 C20 C21 117.6(3) . . . . ?
C26 P2 C20 C25 175.3(3) . . . . ?
C32 P2 C20 C25 66.0(4) . . . . ?
Rh1 P2 C20 C25 -62.0(3) . . . . ?
C25 C20 C21 C22 0.7(7) . . . . ?
P2 C20 C21 C22 -178.8(4) . . . . ?
C20 C21 C22 C23 -1.0(7) . . . . ?
C21 C22 C23 C24 0.8(7) . . . . ?
C22 C23 C24 C25 -0.5(7) . . . . ?
C23 C24 C25 C20 0.2(6) . . . . ?
C21 C20 C25 C24 -0.3(6) . . . . ?
P2 C20 C25 C24 179.2(3) . . . . ?
C20 P2 C26 C31 73.7(4) . . . . ?
C32 P2 C26 C31 -178.9(3) . . . . ?
Rh1 P2 C26 C31 -48.3(4) . . . . ?
C20 P2 C26 C27 -102.7(4) . . . . ?
C32 P2 C26 C27 4.6(4) . . . . ?
Rh1 P2 C26 C27 135.3(3) . . . . ?
C31 C26 C27 C28 -0.8(6) . . . . ?
P2 C26 C27 C28 175.6(3) . . . . ?
C26 C27 C28 C29 0.1(7) . . . . ?
C27 C28 C29 C30 0.2(7) . . . . ?
C28 C29 C30 C31 0.2(7) . . . . ?
C27 C26 C31 C30 1.2(6) . . . . ?
P2 C26 C31 C30 -175.3(3) . . . . ?
C29 C30 C31 C26 -0.9(7) . . . . ?
C20 P2 C32 C37 21.8(4) . . . . ?
C26 P2 C32 C37 -86.2(4) . . . . ?
Rh1 P2 C32 C37 145.9(3) . . . . ?
C20 P2 C32 C33 -158.7(4) . . . . ?
C26 P2 C32 C33 93.3(4) . . . . ?
Rh1 P2 C32 C33 -34.5(4) . . . . ?
C37 C32 C33 C34 0.9(7) . . . . ?
P2 C32 C33 C34 -178.6(4) . . . . ?
C32 C33 C34 C35 -2.0(7) . . . . ?
C33 C34 C35 C36 1.3(7) . . . . ?
C34 C35 C36 C37 0.3(7) . . . . ?
C33 C32 C37 C36 0.7(6) . . . . ?
P2 C32 C37 C36 -179.7(3) . . . . ?
C35 C36 C37 C32 -1.4(7) . . . . ?

_refine_diff_density_max         0.705
_refine_diff_density_min         -0.615
_refine_diff_density_rms         0.108

