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

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

data_zl-0048
_database_code_depnum_ccdc_archive 'CCDC 1900599'
loop_
_audit_author_name
_audit_author_address
'Nathan Schley'
;Vanderbilt University
United States of America
;
_audit_update_record             
;
2019-04-22 deposited with the CCDC.	2019-05-14 downloaded from the CCDC.
;
_audit_creation_date             2018-10-30
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C55 H52 O3 P4 Rh, 2(C H2 Cl2), 2(C1 H1 Cl3), Cl'
_chemical_formula_sum            'C59 H58 Cl11 O3 P4 Rh'
_chemical_formula_weight         1431.79
_chemical_melting_point          ?
_chemical_oxdiff_formula         C60H58Cl10O3P4Rh1
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh 0.0927 3.6045 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   14.88291(13)
_cell_length_b                   20.7830(2)
_cell_length_c                   21.00080(16)
_cell_angle_alpha                90
_cell_angle_beta                 92.8655(7)
_cell_angle_gamma                90
_cell_volume                     6487.67(10)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    14038
_cell_measurement_temperature    100.01(10)
_cell_measurement_theta_max      71.9660
_cell_measurement_theta_min      3.5400
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    7.566
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.490
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.466
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             2912
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0 -14 0 0.0091
0 14 0 0.0041
0 0 -14 0.0184
7 -1 8 0.0401
-7 1 10 0.0611

_exptl_crystal_size_max          0.173
_exptl_crystal_size_mid          0.094
_exptl_crystal_size_min          0.013
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-0.0091 -13.9865 0.0009 -0.9076 -0.5006 0.0221
0.0091 13.9865 -0.0009 0.9076 0.5006 -0.0221
-0.0012 -0.0074 -14.0023 -0.0041 0.0531 1.0267
6.9949 -0.9980 8.0025 -0.4120 0.5655 -0.6557
-6.9933 1.0076 10.0005 0.4173 -0.6337 -0.6643

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0370
_diffrn_reflns_av_unetI/netI     0.0416
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.969
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            36335
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.969
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         72.273
_diffrn_reflns_theta_min         2.993
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.01(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.1506
_diffrn_detector_type            EosS2
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.969
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -55.00  33.00   1.00    4.00    --  -36.45  38.00 120.00   88
  2  ω   -104.00 -10.00   1.00    4.00    --  -36.45 -77.00 -30.00   94
  3  ω      7.00 108.00   1.00    4.00    --   36.45  19.00 -60.00  101
  4  ω      8.00  46.00   1.00    4.00    --   36.45  80.00  97.91   38
  5  ω      9.00  47.00   1.00    4.00    --   36.45  79.00  24.62   38
  6  ω    -28.00  64.00   1.00    4.00    --   36.45 -78.00  94.91   92
  7  ω    -31.00  63.00   1.00    4.00    --   36.45 -77.00  60.00   94
  8  ω      9.00  47.00   1.00    4.00    --   36.45  79.00 -45.36   38
  9  ω     41.00 136.00   1.00   20.00    --  108.65 -79.00   3.15   95
 10  ω    111.00 176.00   1.00   20.00    --  108.65  61.00  90.00   65
 11  ω     78.00 105.00   1.00   20.00    --  108.65 -80.00  29.38   27
 12  ω     41.00 125.00   1.00   20.00    --  108.65 -45.00 120.00   84
 13  ω     55.00 103.00   1.00   20.00    --  108.65 -80.00-108.44   48
 14  ω     41.00 106.00   1.00   20.00    --  108.65 -80.00 -38.37   65
 15  ω     66.00 138.00   1.00   20.00    --  108.65   0.00 -90.00   72
 16  ω     86.00 176.00   1.00   20.00    --  108.65  77.00-120.00   90
 17  ω     53.00 100.00   1.00   20.00    --  108.65 -79.00 -74.20   47
 18  ω     68.00 134.00   1.00   20.00    --  108.65 -80.00  54.32   66
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, EosS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0499334000
_diffrn_orient_matrix_UB_12      0.0649244000
_diffrn_orient_matrix_UB_13      0.0002635000
_diffrn_orient_matrix_UB_21      0.0903048000
_diffrn_orient_matrix_UB_22      0.0357322000
_diffrn_orient_matrix_UB_23      -0.0038158000
_diffrn_orient_matrix_UB_31      -0.0100875000
_diffrn_orient_matrix_UB_32      -0.0015807000
_diffrn_orient_matrix_UB_33      -0.0733226000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10504
_reflns_number_total             12419
_reflns_odcompleteness_completeness 98.97
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.49
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         2.358
_refine_diff_density_min         -1.352
_refine_diff_density_rms         0.142
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     790
_refine_ls_number_reflns         12419
_refine_ls_number_restraints     184
_refine_ls_R_factor_all          0.0805
_refine_ls_R_factor_gt           0.0693
_refine_ls_restrained_S_all      1.070
_refine_ls_shift/su_max          0.010
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1071P)²+30.8979P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1859
_refine_ls_wR_factor_ref         0.1965
_refine_special_details          
'A disordered chloroform was modeled over two positions with similarity restraints placed on the C-Cl bond lengths. A single, highly-disordered dichloromethane was modeled over 3 positions using the fragment based approach as Guzei, I. A. (2014). J. Appl. Crystallogr. 47, 806-809. The thermal parameters of all disordered solvent molecules were modeled with similarity restraints.'
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All O(H) groups
2. Restrained distances
 Cl5-C59B \\sim Cl10-C59 \\sim Cl9B-C59B \\sim Cl6-C59B \\sim Cl9-C59 \\sim
Cl11-C59
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Cl5 \\sim Cl6 \\sim Cl9 \\sim Cl9B \\sim Cl10 \\sim Cl11 \\sim C59 \\sim C59B:
within 2.4A with sigma of 0.01 and sigma for terminal atoms of 0.02
Cl5B \\sim Cl5C \\sim Cl6B \\sim Cl6C \\sim Cl12 \\sim Cl13 \\sim C57 \\sim
C57B \\sim C57C: within 2A with sigma of 0.01 and sigma for terminal atoms of
0.02
4. Others
 1*[Sof(Cl6B)+Sof(Cl5B)+Sof(C57B)+Sof(H57A)+Sof(H57B)]+1*[Sof(Cl6C)+Sof(Cl5C)+
 Sof(C57C)+Sof(H57C)+Sof(H57D)]+1*[Sof(Cl12)+Sof(Cl13)+Sof(C57)+Sof(H57E)+
 Sof(H57F)]=1 with esd of 0.001
 Sof(Cl5)=Sof(Cl6)=Sof(Cl9B)=Sof(C59B)=Sof(H59B)=1-FVAR(1)
 Sof(Cl9)=Sof(Cl10)=Sof(Cl11)=Sof(C59)=Sof(H59)=FVAR(1)
 Sof(Cl6B)=Sof(Cl5B)=Sof(C57B)=Sof(H57A)=Sof(H57B)=FVAR(2)
 Sof(Cl6C)=Sof(Cl5C)=Sof(C57C)=Sof(H57C)=Sof(H57D)=FVAR(3)
 Sof(Cl12)=Sof(Cl13)=Sof(C57)=Sof(H57E)=Sof(H57F)=FVAR(4)
5.a Free rotating group:
 Cl6B(Cl5B,C57B), Cl6C(Cl5C,C57C), Cl12(Cl13,C57)
5.b Ternary CH refined with riding coordinates:
 C15(H15), C42(H42), C59(H59), C59B(H59B), C56(H56)
5.c Secondary CH2 refined with riding coordinates:
 C14(H14A,H14B), C16(H16A,H16B), C41(H41A,H41B), C43(H43A,H43B), C58(H58A,
 H58B), C57B(H57A,H57B), C57C(H57C,H57D), C57(H57E,H57F)
5.d Aromatic/amide H refined with riding coordinates:
 C3(H3A), C4(H4), C5(H5), C6(H6), C7(H7), C9(H9), C10(H10), C11(H11), C12(H12),
  C13(H13), C18(H18), C19(H19), C20(H20), C21(H21), C22(H22), C24(H24),
 C25(H25), C26(H26), C27(H27), C28(H28), C30(H30), C31(H31), C32(H32), C33(H33),
  C34(H34), C36(H36), C37(H37), C38(H38), C39(H39), C40(H40), C45(H45),
 C46(H46), C47(H47), C48(H48), C49(H49), C51(H51), C52(H52), C53(H53), C54(H54),
  C55(H55)
5.e Idealised tetrahedral OH refined as rotating group:
 O2(H2), O3(H3)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 0.47485(2) 0.66815(2) 0.39730(2) 0.01815(12) Uani 1 1 d . . . . .
P1 P 0.35583(8) 0.68759(6) 0.46410(6) 0.0197(3) Uani 1 1 d . . . . .
P2 P 0.56217(9) 0.74257(7) 0.46197(6) 0.0249(3) Uani 1 1 d . . . . .
P3 P 0.41016(8) 0.72388(6) 0.30503(6) 0.0226(3) Uani 1 1 d . . . . .
P4 P 0.58924(8) 0.63701(6) 0.33202(6) 0.0188(2) Uani 1 1 d . . . . .
O1 O 0.4610(3) 0.52786(18) 0.43456(19) 0.0307(8) Uani 1 1 d . . . . .
O2 O 0.3860(4) 0.8672(2) 0.5388(3) 0.0524(13) Uani 1 1 d . . . . .
H2 H 0.343779 0.865228 0.562330 0.079 Uiso 1 1 calc GR . . . .
O3 O 0.6093(3) 0.7605(2) 0.1835(2) 0.0396(10) Uani 1 1 d . . . . .
H3 H 0.652815 0.741101 0.170609 0.059 Uiso 1 1 calc GR . . . .
C1 C 0.4655(3) 0.5805(3) 0.4205(2) 0.0245(10) Uani 1 1 d . . . . .
C2 C 0.3619(3) 0.6542(2) 0.5451(2) 0.0215(10) Uani 1 1 d . . . . .
C3 C 0.2911(4) 0.6675(3) 0.5845(3) 0.0261(11) Uani 1 1 d . . . . .
H3A H 0.241505 0.690630 0.568406 0.031 Uiso 1 1 calc R . . . .
C4 C 0.2944(4) 0.6466(3) 0.6472(3) 0.0312(12) Uani 1 1 d . . . . .
H4 H 0.247141 0.655780 0.673176 0.037 Uiso 1 1 calc R . . . .
C5 C 0.3682(4) 0.6120(3) 0.6713(3) 0.0300(11) Uani 1 1 d . . . . .
H5 H 0.370644 0.598334 0.713469 0.036 Uiso 1 1 calc R . . . .
C6 C 0.4382(4) 0.5978(3) 0.6327(2) 0.0261(11) Uani 1 1 d . . . . .
H6 H 0.487594 0.574608 0.648857 0.031 Uiso 1 1 calc R . . . .
C7 C 0.4344(3) 0.6185(2) 0.5693(2) 0.0227(10) Uani 1 1 d . . . . .
H7 H 0.480940 0.608188 0.543170 0.027 Uiso 1 1 calc R . . . .
C8 C 0.2469(3) 0.6551(3) 0.4351(2) 0.0236(10) Uani 1 1 d . . . . .
C9 C 0.1745(4) 0.6939(3) 0.4165(3) 0.0300(11) Uani 1 1 d . . . . .
H9 H 0.178677 0.738305 0.420988 0.036 Uiso 1 1 calc R . . . .
C10 C 0.0951(4) 0.6661(3) 0.3909(3) 0.0396(15) Uani 1 1 d . . . . .
H10 H 0.047083 0.692216 0.377413 0.048 Uiso 1 1 calc R . . . .
C11 C 0.0875(4) 0.6003(3) 0.3855(3) 0.0380(14) Uani 1 1 d . . . . .
H11 H 0.034976 0.582124 0.367711 0.046 Uiso 1 1 calc R . . . .
C12 C 0.1581(4) 0.5612(3) 0.4065(3) 0.0320(12) Uani 1 1 d . . . . .
H12 H 0.152424 0.516657 0.404139 0.038 Uiso 1 1 calc R . . . .
C13 C 0.2376(4) 0.5886(3) 0.4313(2) 0.0275(11) Uani 1 1 d . . . . .
H13 H 0.285023 0.562230 0.445473 0.033 Uiso 1 1 calc R . . . .
C14 C 0.3358(4) 0.7723(2) 0.4813(2) 0.0254(10) Uani 1 1 d . . . . .
H14A H 0.327785 0.795569 0.441424 0.031 Uiso 1 1 calc R . . . .
H14B H 0.280485 0.776048 0.503571 0.031 Uiso 1 1 calc R . . . .
C15 C 0.4124(4) 0.8035(3) 0.5218(3) 0.0303(12) Uani 1 1 d . . . . .
H15 H 0.424479 0.778051 0.560606 0.036 Uiso 1 1 calc R . . . .
C16 C 0.4999(4) 0.8134(3) 0.4880(3) 0.0305(12) Uani 1 1 d . . . . .
H16A H 0.540195 0.838110 0.516343 0.037 Uiso 1 1 calc R . . . .
H16B H 0.486247 0.839823 0.450753 0.037 Uiso 1 1 calc R . . . .
C17 C 0.6087(3) 0.7056(3) 0.5361(3) 0.0304(12) Uani 1 1 d . . . . .
C18 C 0.6445(4) 0.6440(3) 0.5328(3) 0.0306(12) Uani 1 1 d . . . . .
H18 H 0.644131 0.622558 0.493917 0.037 Uiso 1 1 calc R . . . .
C19 C 0.6810(4) 0.6141(4) 0.5876(3) 0.0392(14) Uani 1 1 d . . . . .
H19 H 0.704713 0.572868 0.585134 0.047 Uiso 1 1 calc R . . . .
C20 C 0.6821(4) 0.6455(4) 0.6456(3) 0.0472(17) Uani 1 1 d . . . . .
H20 H 0.706825 0.625686 0.682098 0.057 Uiso 1 1 calc R . . . .
C21 C 0.6465(4) 0.7063(4) 0.6489(3) 0.0469(17) Uani 1 1 d . . . . .
H21 H 0.646256 0.727136 0.688074 0.056 Uiso 1 1 calc R . . . .
C22 C 0.6107(4) 0.7373(3) 0.5945(3) 0.0386(14) Uani 1 1 d . . . . .
H22 H 0.588258 0.778914 0.597274 0.046 Uiso 1 1 calc R . . . .
C23 C 0.6617(4) 0.7859(3) 0.4360(3) 0.0382(14) Uani 1 1 d . . . . .
C24 C 0.6519(6) 0.8309(3) 0.3869(4) 0.0507(18) Uani 1 1 d . . . . .
H24 H 0.595319 0.838231 0.367412 0.061 Uiso 1 1 calc R . . . .
C25 C 0.7255(7) 0.8646(4) 0.3668(5) 0.072(3) Uani 1 1 d . . . . .
H25 H 0.718620 0.894159 0.333687 0.087 Uiso 1 1 calc R . . . .
C26 C 0.8098(6) 0.8540(5) 0.3966(5) 0.074(3) Uani 1 1 d . . . . .
H26 H 0.859359 0.876588 0.383183 0.089 Uiso 1 1 calc R . . . .
C27 C 0.8205(6) 0.8110(4) 0.4451(5) 0.068(3) Uani 1 1 d . . . . .
H27 H 0.877141 0.804826 0.464823 0.082 Uiso 1 1 calc R . . . .
C28 C 0.7474(4) 0.7762(4) 0.4656(4) 0.0462(17) Uani 1 1 d . . . . .
H28 H 0.755309 0.746644 0.498694 0.055 Uiso 1 1 calc R . . . .
C29 C 0.3359(4) 0.7937(3) 0.3154(2) 0.0280(11) Uani 1 1 d . . . . .
C30 C 0.3733(5) 0.8529(3) 0.3344(3) 0.0379(13) Uani 1 1 d . . . . .
H30 H 0.435482 0.857700 0.337400 0.045 Uiso 1 1 calc R . . . .
C31 C 0.3185(5) 0.9045(3) 0.3488(3) 0.0456(16) Uani 1 1 d . . . . .
H31 H 0.343756 0.943551 0.361750 0.055 Uiso 1 1 calc R . . . .
C32 C 0.2256(5) 0.8972(4) 0.3437(3) 0.0471(17) Uani 1 1 d . . . . .
H32 H 0.188534 0.931282 0.354034 0.057 Uiso 1 1 calc R . . . .
C33 C 0.1887(5) 0.8400(4) 0.3234(3) 0.0434(16) Uani 1 1 d . . . . .
H33 H 0.126457 0.835856 0.319022 0.052 Uiso 1 1 calc R . . . .
C34 C 0.2429(4) 0.7880(3) 0.3093(2) 0.0343(13) Uani 1 1 d . . . . .
H34 H 0.216922 0.749355 0.295850 0.041 Uiso 1 1 calc R . . . .
C35 C 0.3408(4) 0.6743(3) 0.2492(3) 0.0277(11) Uani 1 1 d . . . . .
C36 C 0.3362(4) 0.6834(3) 0.1834(3) 0.0361(13) Uani 1 1 d . . . . .
H36 H 0.370590 0.715537 0.165665 0.043 Uiso 1 1 calc R . . . .
C37 C 0.2812(5) 0.6455(3) 0.1443(3) 0.0454(16) Uani 1 1 d . . . . .
H37 H 0.279293 0.652074 0.100468 0.054 Uiso 1 1 calc R . . . .
C38 C 0.2285(5) 0.5975(3) 0.1695(3) 0.0424(15) Uani 1 1 d . . . . .
H38 H 0.191519 0.572046 0.142881 0.051 Uiso 1 1 calc R . . . .
C39 C 0.2321(4) 0.5883(3) 0.2344(3) 0.0381(13) Uani 1 1 d . . . . .
H39 H 0.196736 0.556633 0.251938 0.046 Uiso 1 1 calc R . . . .
C40 C 0.2876(4) 0.6257(3) 0.2737(3) 0.0314(12) Uani 1 1 d . . . . .
H40 H 0.289735 0.618451 0.317403 0.038 Uiso 1 1 calc R . . . .
C41 C 0.4898(4) 0.7627(3) 0.2527(3) 0.0284(11) Uani 1 1 d . . . . .
H41A H 0.455614 0.780850 0.216508 0.034 Uiso 1 1 calc R . . . .
H41B H 0.518155 0.798222 0.275971 0.034 Uiso 1 1 calc R . . . .
C42 C 0.5640(4) 0.7206(3) 0.2273(2) 0.0273(11) Uani 1 1 d . . . . .
H42 H 0.537500 0.683261 0.204844 0.033 Uiso 1 1 calc R . . . .
C43 C 0.6321(3) 0.6983(3) 0.2794(2) 0.0248(10) Uani 1 1 d . . . . .
H43A H 0.651311 0.735231 0.304868 0.030 Uiso 1 1 calc R . . . .
H43B H 0.684637 0.681366 0.259547 0.030 Uiso 1 1 calc R . . . .
C44 C 0.5608(3) 0.5722(2) 0.2758(2) 0.0217(10) Uani 1 1 d . . . . .
C45 C 0.6236(4) 0.5536(3) 0.2322(3) 0.0283(11) Uani 1 1 d . . . . .
H45 H 0.680141 0.572656 0.233538 0.034 Uiso 1 1 calc R . . . .
C46 C 0.6020(4) 0.5066(3) 0.1869(3) 0.0358(13) Uani 1 1 d . . . . .
H46 H 0.643945 0.495171 0.157507 0.043 Uiso 1 1 calc R . . . .
C47 C 0.5191(4) 0.4767(3) 0.1851(3) 0.0373(13) Uani 1 1 d . . . . .
H47 H 0.505060 0.444988 0.154919 0.045 Uiso 1 1 calc R . . . .
C48 C 0.4573(4) 0.4946(3) 0.2289(3) 0.0344(13) Uani 1 1 d . . . . .
H48 H 0.401431 0.474414 0.228284 0.041 Uiso 1 1 calc R . . . .
C49 C 0.4773(3) 0.5420(3) 0.2735(2) 0.0264(11) Uani 1 1 d . . . . .
H49 H 0.434674 0.553815 0.302175 0.032 Uiso 1 1 calc R . . . .
C50 C 0.6913(3) 0.6063(2) 0.3731(2) 0.0218(10) Uani 1 1 d . . . . .
C51 C 0.7675(3) 0.6445(3) 0.3832(3) 0.0263(11) Uani 1 1 d . . . . .
H51 H 0.768895 0.685932 0.366402 0.032 Uiso 1 1 calc R . . . .
C52 C 0.8417(4) 0.6204(3) 0.4185(3) 0.0340(12) Uani 1 1 d . . . . .
H52 H 0.891946 0.646376 0.426451 0.041 Uiso 1 1 calc R . . . .
C53 C 0.8415(4) 0.5584(3) 0.4417(3) 0.0341(12) Uani 1 1 d . . . . .
H53 H 0.891525 0.542564 0.464956 0.041 Uiso 1 1 calc R . . . .
C54 C 0.7667(4) 0.5197(3) 0.4305(3) 0.0326(12) Uani 1 1 d . . . . .
H54 H 0.766875 0.477620 0.445561 0.039 Uiso 1 1 calc R . . . .
C55 C 0.6910(3) 0.5440(3) 0.3966(2) 0.0258(11) Uani 1 1 d . . . . .
H55 H 0.640239 0.518306 0.389765 0.031 Uiso 1 1 calc R . . . .
Cl7 Cl 0.51782(16) 0.83018(12) 0.72170(11) 0.0694(6) Uani 1 1 d . . . . .
Cl8 Cl 0.41205(15) 0.73532(11) 0.78894(9) 0.0646(5) Uani 1 1 d . . . . .
C58 C 0.4351(5) 0.7679(4) 0.7145(4) 0.0540(18) Uani 1 1 d . . . . .
H58A H 0.380107 0.785168 0.694537 0.065 Uiso 1 1 calc R . . . .
H58B H 0.456461 0.734019 0.687295 0.065 Uiso 1 1 calc R . . . .
Cl5 Cl 1.0796(9) 0.8695(7) 0.4644(5) 0.125(4) Uani 0.419(6) 1 d D U P A 2
Cl6 Cl 0.9677(8) 0.9093(7) 0.5553(7) 0.137(4) Uani 0.419(6) 1 d D U P A 2
Cl9 Cl 0.9766(3) 0.8866(2) 0.57894(17) 0.0495(9) Uani 0.581(6) 1 d D U P A 1
Cl9B Cl 1.0166(9) 0.7685(5) 0.5376(4) 0.156(4) Uani 0.419(6) 1 d D U P A 2
Cl10 Cl 1.0697(4) 0.8446(3) 0.4679(4) 0.094(2) Uani 0.581(6) 1 d D U P A 1
Cl11 Cl 1.1022(6) 0.9728(4) 0.5053(3) 0.143(3) Uani 0.581(6) 1 d D U P A 1
C59 C 1.0756(11) 0.8961(7) 0.5358(7) 0.092(4) Uani 0.581(6) 1 d D U P A 1
H59 H 1.126720 0.882034 0.563530 0.111 Uiso 0.581(6) 1 calc R . P A 1
C59B C 1.0522(16) 0.8500(7) 0.5428(9) 0.102(4) Uani 0.419(6) 1 d D U P A 2
H59B H 1.104052 0.855117 0.573032 0.123 Uiso 0.419(6) 1 calc R . P A 2
Cl1 Cl 0.24225(11) 0.83798(8) 0.63254(8) 0.0471(4) Uani 1 1 d . . . . .
Cl2 Cl 0.5371(3) 0.93616(18) 0.17092(16) 0.1125(11) Uani 1 1 d . . . . .
Cl3 Cl 0.55449(11) 0.89656(11) 0.04294(10) 0.0602(5) Uani 1 1 d . . . . .
Cl4 Cl 0.39707(14) 0.86081(16) 0.10864(15) 0.1001(11) Uani 1 1 d . . . . .
Cl6B Cl 0.3787(16) 1.0269(11) 0.4847(10) 0.122(6) Uani 0.226(10) 1 d . U P B -1
Cl5B Cl 0.5210(13) 0.9851(6) 0.4023(7) 0.108(4) Uani 0.226(10) 1 d G U P B -1
C57B C 0.486(2) 0.992(3) 0.4808(7) 0.131(6) Uani 0.226(10) 1 d G U P B -1
H57A H 0.485921 0.950083 0.500351 0.157 Uiso 0.226(10) 1 calc R . P B -1
H57B H 0.529438 1.018697 0.505218 0.157 Uiso 0.226(10) 1 calc R . P B -1
Cl6C Cl 0.3404(10) 1.0413(4) 0.4924(5) 0.063(3) Uani 0.258(10) 1 d . U P C -3
Cl5C Cl 0.5045(11) 1.0162(13) 0.4246(12) 0.180(6) Uani 0.258(10) 1 d G U P C -3
C57C C 0.448(2) 1.005(3) 0.4953(13) 0.127(6) Uani 0.258(10) 1 d G U P C -3
H57C H 0.441239 0.959615 0.503237 0.152 Uiso 0.258(10) 1 calc R . P C -3
H57D H 0.483538 1.023530 0.530681 0.152 Uiso 0.258(10) 1 calc R . P C -3
Cl12 Cl 0.6331(4) 1.0490(5) 0.2476(3) 0.185(5) Uani 0.517(5) 1 d . U P D -2
Cl13 Cl 0.5117(5) 0.9929(3) 0.3384(4) 0.131(3) Uani 0.517(5) 1 d G U P D -2
C57 C 0.6119(12) 1.0358(15) 0.3283(3) 0.158(7) Uani 0.517(5) 1 d G U P D -2
H57E H 0.661836 1.012034 0.348285 0.189 Uiso 0.517(5) 1 calc R . P D -2
H57F H 0.608415 1.076967 0.349748 0.189 Uiso 0.517(5) 1 calc R . P D -2
C56 C 0.5127(6) 0.8741(5) 0.1143(4) 0.073(3) Uani 1 1 d . . . . .
H56 H 0.542843 0.834515 0.128952 0.087 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 P1 2.3489(12) . ?
Rh1 P2 2.3978(13) . ?
Rh1 P3 2.4159(13) . ?
Rh1 P4 2.3302(12) . ?
Rh1 C1 1.892(5) . ?
P1 C2 1.835(5) . ?
P1 C8 1.832(5) . ?
P1 C14 1.824(5) . ?
P2 C16 1.837(6) . ?
P2 C17 1.839(6) . ?
P2 C23 1.840(6) . ?
P3 C29 1.844(5) . ?
P3 C35 1.839(6) . ?
P3 C41 1.843(5) . ?
P4 C43 1.822(5) . ?
P4 C44 1.827(5) . ?
P4 C50 1.824(5) . ?
O1 C1 1.137(7) . ?
O2 H2 0.8200 . ?
O2 C15 1.430(7) . ?
O3 H3 0.8200 . ?
O3 C42 1.431(6) . ?
C2 C3 1.399(7) . ?
C2 C7 1.385(7) . ?
C3 H3A 0.9300 . ?
C3 C4 1.387(7) . ?
C4 H4 0.9300 . ?
C4 C5 1.387(8) . ?
C5 H5 0.9300 . ?
C5 C6 1.383(8) . ?
C6 H6 0.9300 . ?
C6 C7 1.396(7) . ?
C7 H7 0.9300 . ?
C8 C9 1.387(8) . ?
C8 C13 1.391(8) . ?
C9 H9 0.9300 . ?
C9 C10 1.398(8) . ?
C10 H10 0.9300 . ?
C10 C11 1.376(10) . ?
C11 H11 0.9300 . ?
C11 C12 1.383(9) . ?
C12 H12 0.9300 . ?
C12 C13 1.391(8) . ?
C13 H13 0.9300 . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C14 C15 1.532(8) . ?
C15 H15 0.9800 . ?
C15 C16 1.528(7) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 C18 1.392(9) . ?
C17 C22 1.392(8) . ?
C18 H18 0.9300 . ?
C18 C19 1.393(9) . ?
C19 H19 0.9300 . ?
C19 C20 1.381(9) . ?
C20 H20 0.9300 . ?
C20 C21 1.373(11) . ?
C21 H21 0.9300 . ?
C21 C22 1.394(10) . ?
C22 H22 0.9300 . ?
C23 C24 1.393(10) . ?
C23 C28 1.406(10) . ?
C24 H24 0.9300 . ?
C24 C25 1.384(10) . ?
C25 H25 0.9300 . ?
C25 C26 1.392(15) . ?
C26 H26 0.9300 . ?
C26 C27 1.358(15) . ?
C27 H27 0.9300 . ?
C27 C28 1.392(9) . ?
C28 H28 0.9300 . ?
C29 C30 1.399(9) . ?
C29 C34 1.388(8) . ?
C30 H30 0.9300 . ?
C30 C31 1.390(8) . ?
C31 H31 0.9300 . ?
C31 C32 1.388(11) . ?
C32 H32 0.9300 . ?
C32 C33 1.370(11) . ?
C33 H33 0.9300 . ?
C33 C34 1.389(8) . ?
C34 H34 0.9300 . ?
C35 C36 1.394(8) . ?
C35 C40 1.396(8) . ?
C36 H36 0.9300 . ?
C36 C37 1.378(9) . ?
C37 H37 0.9300 . ?
C37 C38 1.389(10) . ?
C38 H38 0.9300 . ?
C38 C39 1.375(9) . ?
C39 H39 0.9300 . ?
C39 C40 1.378(8) . ?
C40 H40 0.9300 . ?
C41 H41A 0.9700 . ?
C41 H41B 0.9700 . ?
C41 C42 1.526(7) . ?
C42 H42 0.9800 . ?
C42 C43 1.527(7) . ?
C43 H43A 0.9700 . ?
C43 H43B 0.9700 . ?
C44 C45 1.394(7) . ?
C44 C49 1.391(7) . ?
C45 H45 0.9300 . ?
C45 C46 1.390(8) . ?
C46 H46 0.9300 . ?
C46 C47 1.381(9) . ?
C47 H47 0.9300 . ?
C47 C48 1.385(9) . ?
C48 H48 0.9300 . ?
C48 C49 1.382(8) . ?
C49 H49 0.9300 . ?
C50 C51 1.393(7) . ?
C50 C55 1.386(7) . ?
C51 H51 0.9300 . ?
C51 C52 1.393(8) . ?
C52 H52 0.9300 . ?
C52 C53 1.378(9) . ?
C53 H53 0.9300 . ?
C53 C54 1.383(8) . ?
C54 H54 0.9300 . ?
C54 C55 1.398(7) . ?
C55 H55 0.9300 . ?
Cl7 C58 1.788(8) . ?
Cl8 C58 1.752(8) . ?
C58 H58A 0.9700 . ?
C58 H58B 0.9700 . ?
Cl5 C59B 1.764(14) . ?
Cl6 C59B 1.788(14) . ?
Cl9 C59 1.779(12) . ?
Cl9B C59B 1.775(15) . ?
Cl10 C59 1.781(12) . ?
Cl11 C59 1.770(13) . ?
C59 H59 0.9800 . ?
C59B H59B 0.9800 . ?
Cl2 C56 1.779(12) . ?
Cl3 C56 1.715(8) . ?
Cl4 C56 1.741(9) . ?
Cl6B C57B 1.7602 . ?
Cl5B C57B 1.7605 . ?
C57B H57A 0.9700 . ?
C57B H57B 0.9700 . ?
Cl6C C57C 1.7598 . ?
Cl5C C57C 1.7603 . ?
C57C H57C 0.9700 . ?
C57C H57D 0.9700 . ?
Cl12 C57 1.7604 . ?
Cl13 C57 1.7596 . ?
C57 H57E 0.9700 . ?
C57 H57F 0.9700 . ?
C56 H56 0.9800 . ?

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
P1 Rh1 P2 87.38(4) . . ?
P1 Rh1 P3 96.57(4) . . ?
P2 Rh1 P3 109.15(5) . . ?
P4 Rh1 P1 173.77(5) . . ?
P4 Rh1 P2 96.96(4) . . ?
P4 Rh1 P3 86.26(4) . . ?
C1 Rh1 P1 86.83(15) . . ?
C1 Rh1 P2 121.33(16) . . ?
C1 Rh1 P3 129.52(16) . . ?
C1 Rh1 P4 87.09(15) . . ?
C2 P1 Rh1 119.01(17) . . ?
C8 P1 Rh1 114.78(16) . . ?
C8 P1 C2 99.8(2) . . ?
C14 P1 Rh1 114.83(17) . . ?
C14 P1 C2 100.5(2) . . ?
C14 P1 C8 105.7(2) . . ?
C16 P2 Rh1 114.7(2) . . ?
C16 P2 C17 104.8(3) . . ?
C16 P2 C23 97.0(3) . . ?
C17 P2 Rh1 112.36(19) . . ?
C17 P2 C23 100.4(3) . . ?
C23 P2 Rh1 124.71(19) . . ?
C29 P3 Rh1 120.01(17) . . ?
C35 P3 Rh1 115.53(18) . . ?
C35 P3 C29 101.3(3) . . ?
C35 P3 C41 102.9(3) . . ?
C41 P3 Rh1 116.47(18) . . ?
C41 P3 C29 97.6(2) . . ?
C43 P4 Rh1 116.81(18) . . ?
C43 P4 C44 101.5(2) . . ?
C43 P4 C50 102.8(2) . . ?
C44 P4 Rh1 115.65(16) . . ?
C50 P4 Rh1 115.75(15) . . ?
C50 P4 C44 102.0(2) . . ?
C15 O2 H2 109.5 . . ?
C42 O3 H3 109.5 . . ?
O1 C1 Rh1 179.1(5) . . ?
C3 C2 P1 118.0(4) . . ?
C7 C2 P1 123.0(4) . . ?
C7 C2 C3 119.0(5) . . ?
C2 C3 H3A 119.7 . . ?
C4 C3 C2 120.6(5) . . ?
C4 C3 H3A 119.7 . . ?
C3 C4 H4 120.1 . . ?
C5 C4 C3 119.8(5) . . ?
C5 C4 H4 120.1 . . ?
C4 C5 H5 119.9 . . ?
C6 C5 C4 120.2(5) . . ?
C6 C5 H5 119.9 . . ?
C5 C6 H6 120.1 . . ?
C5 C6 C7 119.8(5) . . ?
C7 C6 H6 120.1 . . ?
C2 C7 C6 120.5(5) . . ?
C2 C7 H7 119.7 . . ?
C6 C7 H7 119.7 . . ?
C9 C8 P1 122.8(4) . . ?
C9 C8 C13 119.2(5) . . ?
C13 C8 P1 118.0(4) . . ?
C8 C9 H9 120.1 . . ?
C8 C9 C10 119.9(6) . . ?
C10 C9 H9 120.1 . . ?
C9 C10 H10 119.8 . . ?
C11 C10 C9 120.4(5) . . ?
C11 C10 H10 119.8 . . ?
C10 C11 H11 120.0 . . ?
C10 C11 C12 120.0(5) . . ?
C12 C11 H11 120.0 . . ?
C11 C12 H12 120.1 . . ?
C11 C12 C13 119.8(6) . . ?
C13 C12 H12 120.1 . . ?
C8 C13 C12 120.6(5) . . ?
C8 C13 H13 119.7 . . ?
C12 C13 H13 119.7 . . ?
P1 C14 H14A 108.9 . . ?
P1 C14 H14B 108.9 . . ?
H14A C14 H14B 107.7 . . ?
C15 C14 P1 113.2(4) . . ?
C15 C14 H14A 108.9 . . ?
C15 C14 H14B 108.9 . . ?
O2 C15 C14 108.9(5) . . ?
O2 C15 H15 109.5 . . ?
O2 C15 C16 104.0(4) . . ?
C14 C15 H15 109.5 . . ?
C16 C15 C14 115.3(4) . . ?
C16 C15 H15 109.5 . . ?
P2 C16 H16A 107.6 . . ?
P2 C16 H16B 107.6 . . ?
C15 C16 P2 119.0(4) . . ?
C15 C16 H16A 107.6 . . ?
C15 C16 H16B 107.6 . . ?
H16A C16 H16B 107.0 . . ?
C18 C17 P2 118.2(4) . . ?
C18 C17 C22 119.2(6) . . ?
C22 C17 P2 122.7(5) . . ?
C17 C18 H18 119.9 . . ?
C17 C18 C19 120.3(5) . . ?
C19 C18 H18 119.9 . . ?
C18 C19 H19 119.8 . . ?
C20 C19 C18 120.3(7) . . ?
C20 C19 H19 119.8 . . ?
C19 C20 H20 120.3 . . ?
C21 C20 C19 119.4(6) . . ?
C21 C20 H20 120.3 . . ?
C20 C21 H21 119.4 . . ?
C20 C21 C22 121.1(6) . . ?
C22 C21 H21 119.4 . . ?
C17 C22 C21 119.7(7) . . ?
C17 C22 H22 120.2 . . ?
C21 C22 H22 120.2 . . ?
C24 C23 P2 119.4(5) . . ?
C24 C23 C28 118.9(6) . . ?
C28 C23 P2 121.6(5) . . ?
C23 C24 H24 119.7 . . ?
C25 C24 C23 120.6(9) . . ?
C25 C24 H24 119.7 . . ?
C24 C25 H25 120.2 . . ?
C24 C25 C26 119.5(9) . . ?
C26 C25 H25 120.2 . . ?
C25 C26 H26 119.7 . . ?
C27 C26 C25 120.7(7) . . ?
C27 C26 H26 119.7 . . ?
C26 C27 H27 119.6 . . ?
C26 C27 C28 120.7(9) . . ?
C28 C27 H27 119.6 . . ?
C23 C28 H28 120.2 . . ?
C27 C28 C23 119.5(8) . . ?
C27 C28 H28 120.2 . . ?
C30 C29 P3 119.5(4) . . ?
C34 C29 P3 121.5(5) . . ?
C34 C29 C30 118.8(5) . . ?
C29 C30 H30 119.7 . . ?
C31 C30 C29 120.7(6) . . ?
C31 C30 H30 119.7 . . ?
C30 C31 H31 120.3 . . ?
C32 C31 C30 119.5(7) . . ?
C32 C31 H31 120.3 . . ?
C31 C32 H32 120.0 . . ?
C33 C32 C31 120.1(6) . . ?
C33 C32 H32 120.0 . . ?
C32 C33 H33 119.6 . . ?
C32 C33 C34 120.9(7) . . ?
C34 C33 H33 119.6 . . ?
C29 C34 C33 120.1(6) . . ?
C29 C34 H34 119.9 . . ?
C33 C34 H34 119.9 . . ?
C36 C35 P3 123.6(5) . . ?
C36 C35 C40 117.6(6) . . ?
C40 C35 P3 118.8(4) . . ?
C35 C36 H36 119.6 . . ?
C37 C36 C35 120.7(6) . . ?
C37 C36 H36 119.6 . . ?
C36 C37 H37 119.5 . . ?
C36 C37 C38 120.9(6) . . ?
C38 C37 H37 119.5 . . ?
C37 C38 H38 120.6 . . ?
C39 C38 C37 118.9(6) . . ?
C39 C38 H38 120.6 . . ?
C38 C39 H39 119.8 . . ?
C38 C39 C40 120.4(6) . . ?
C40 C39 H39 119.8 . . ?
C35 C40 H40 119.3 . . ?
C39 C40 C35 121.5(5) . . ?
C39 C40 H40 119.3 . . ?
P3 C41 H41A 108.0 . . ?
P3 C41 H41B 108.0 . . ?
H41A C41 H41B 107.3 . . ?
C42 C41 P3 117.1(4) . . ?
C42 C41 H41A 108.0 . . ?
C42 C41 H41B 108.0 . . ?
O3 C42 C41 105.4(4) . . ?
O3 C42 H42 110.0 . . ?
O3 C42 C43 108.6(4) . . ?
C41 C42 H42 110.0 . . ?
C41 C42 C43 112.9(4) . . ?
C43 C42 H42 110.0 . . ?
P4 C43 H43A 108.8 . . ?
P4 C43 H43B 108.8 . . ?
C42 C43 P4 114.0(4) . . ?
C42 C43 H43A 108.8 . . ?
C42 C43 H43B 108.8 . . ?
H43A C43 H43B 107.6 . . ?
C45 C44 P4 119.2(4) . . ?
C49 C44 P4 122.2(4) . . ?
C49 C44 C45 118.6(5) . . ?
C44 C45 H45 119.8 . . ?
C46 C45 C44 120.4(5) . . ?
C46 C45 H45 119.8 . . ?
C45 C46 H46 119.6 . . ?
C47 C46 C45 120.7(5) . . ?
C47 C46 H46 119.6 . . ?
C46 C47 H47 120.5 . . ?
C46 C47 C48 118.9(5) . . ?
C48 C47 H47 120.5 . . ?
C47 C48 H48 119.6 . . ?
C49 C48 C47 120.9(5) . . ?
C49 C48 H48 119.6 . . ?
C44 C49 H49 119.7 . . ?
C48 C49 C44 120.5(5) . . ?
C48 C49 H49 119.7 . . ?
C51 C50 P4 121.7(4) . . ?
C55 C50 P4 118.5(4) . . ?
C55 C50 C51 119.8(5) . . ?
C50 C51 H51 120.2 . . ?
C50 C51 C52 119.6(5) . . ?
C52 C51 H51 120.2 . . ?
C51 C52 H52 119.7 . . ?
C53 C52 C51 120.6(5) . . ?
C53 C52 H52 119.7 . . ?
C52 C53 H53 120.0 . . ?
C52 C53 C54 120.0(5) . . ?
C54 C53 H53 120.0 . . ?
C53 C54 H54 120.1 . . ?
C53 C54 C55 119.9(6) . . ?
C55 C54 H54 120.1 . . ?
C50 C55 C54 120.1(5) . . ?
C50 C55 H55 119.9 . . ?
C54 C55 H55 119.9 . . ?
Cl7 C58 H58A 109.3 . . ?
Cl7 C58 H58B 109.3 . . ?
Cl8 C58 Cl7 111.7(4) . . ?
Cl8 C58 H58A 109.3 . . ?
Cl8 C58 H58B 109.3 . . ?
H58A C58 H58B 108.0 . . ?
Cl9 C59 Cl10 109.4(8) . . ?
Cl9 C59 H59 107.6 . . ?
Cl10 C59 H59 107.6 . . ?
Cl11 C59 Cl9 119.4(9) . . ?
Cl11 C59 Cl10 104.8(8) . . ?
Cl11 C59 H59 107.6 . . ?
Cl5 C59B Cl6 100.1(11) . . ?
Cl5 C59B Cl9B 104.1(11) . . ?
Cl5 C59B H59B 111.5 . . ?
Cl6 C59B H59B 111.5 . . ?
Cl9B C59B Cl6 117.1(14) . . ?
Cl9B C59B H59B 111.5 . . ?
Cl6B C57B Cl5B 112.9 . . ?
Cl6B C57B H57A 109.0 . . ?
Cl6B C57B H57B 109.0 . . ?
Cl5B C57B H57A 109.0 . . ?
Cl5B C57B H57B 109.0 . . ?
H57A C57B H57B 107.8 . . ?
Cl6C C57C Cl5C 112.9 . . ?
Cl6C C57C H57C 109.0 . . ?
Cl6C C57C H57D 109.0 . . ?
Cl5C C57C H57C 109.0 . . ?
Cl5C C57C H57D 109.0 . . ?
H57C C57C H57D 107.8 . . ?
Cl12 C57 H57E 109.0 . . ?
Cl12 C57 H57F 109.0 . . ?
Cl13 C57 Cl12 112.9 . . ?
Cl13 C57 H57E 109.0 . . ?
Cl13 C57 H57F 109.0 . . ?
H57E C57 H57F 107.8 . . ?
Cl2 C56 H56 108.9 . . ?
Cl3 C56 Cl2 108.4(6) . . ?
Cl3 C56 Cl4 112.6(5) . . ?
Cl3 C56 H56 108.9 . . ?
Cl4 C56 Cl2 109.1(5) . . ?
Cl4 C56 H56 108.9 . . ?

_olex2_date_sample_data_collection 2018-10-30
_olex2_exptl_crystal_mounting_method 'mounted in a polyimide loop'
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.121
_oxdiff_exptl_absorpt_empirical_full_min 0.870
# start Validation Reply Form
_vrf_PLAT260_zl-0048             
;
PROBLEM: Large Average Ueq of Residue Including Cl12    0.158 Check
RESPONSE: Extensive solvent disorder gives rise to larger than average thermal 
parameters for these disordered groups.
;
# end Validation Reply Form
####################################################################### 
# 
# 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_z1dppe
_database_code_depnum_ccdc_archive 'CCDC 1900601'
loop_
_audit_author_name
_audit_author_address
'Nathan Schley'
;Vanderbilt University
United States of America
;
_audit_update_record             
;
2019-04-22 deposited with the CCDC.	2019-05-14 downloaded from the CCDC.
;
_audit_creation_date             2019-02-09
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C54 H52 P4 Rh, 2(C H Cl3), Cl'
_chemical_formula_sum            'C56 H54 Cl7 P4 Rh'
_chemical_formula_weight         1201.93
_chemical_melting_point          ?
_chemical_oxdiff_formula         C56H54Cl7P4Rh
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'
Cl Cl 0.1484 0.1585 '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'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.0851(4)
_cell_length_b                   12.1298(4)
_cell_length_c                   21.8397(7)
_cell_angle_alpha                88.981(3)
_cell_angle_beta                 77.421(3)
_cell_angle_gamma                69.857(3)
_cell_volume                     2685.52(16)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    18893
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      29.3420
_cell_measurement_theta_min      3.0740
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.823
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.206
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.486
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1228
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
14 13 2 0.1694
-14 -13 -2 0.1694
-10 9 -5 0.1562
10 -9 5 0.1562
-1 -2 -30 0.1045
1 2 30 0.1045
12 3 24 0.1624

_exptl_crystal_size_max          0.407
_exptl_crystal_size_mid          0.312
_exptl_crystal_size_min          0.209
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
13.9999 13.0001 2.0033 -0.2899 0.9342 0.2965
-13.9999 -13.0001 -2.0033 0.2899 -0.9342 -0.2965
-10.0001 9.0000 -4.9975 -0.0415 0.1024 -1.0151
10.0001 -9.0000 4.9975 0.0415 -0.1024 1.0151
-1.0001 -1.9999 -29.9939 0.9586 0.2770 0.0533
1.0001 1.9999 29.9939 -0.9586 -0.2770 -0.0533
12.0000 3.0000 23.9961 -0.7734 0.1904 0.5930

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0484
_diffrn_reflns_av_unetI/netI     0.0520
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.884
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            50653
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.884
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.967
_diffrn_reflns_theta_min         2.412
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.1506
_diffrn_detector_type            EosS2
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.884
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω      1.00  85.00   1.00    2.00    --   17.65  57.00-180.00   84
  2  ω     -9.00  85.00   1.00    2.00    --   17.65  77.00  30.00   94
  3  ω     -9.00  85.00   1.00    2.00    --   17.65  77.00 -90.00   94
  4  ω     -1.00  87.00   1.00    2.00    --   17.65  38.00-150.00   88
  5  ω    -20.00  57.00   1.00    2.00    --   17.65 -99.00 120.00   77
  6  ω     35.00  90.00   1.00    2.00    --   17.65 178.00 120.00   55
  7  ω      1.00  85.00   1.00    2.00    --   17.65  57.00   0.00   84
  8  ω    -51.00  37.00   1.00    2.00    --   17.65 -38.00  30.00   88
  9  ω    -20.00  57.00   1.00    2.00    --   17.65 -99.00 -90.00   77
 10  ω    -37.00  35.00   1.00    2.00    --  -17.73  38.00 -60.00   72
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, EosS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0018706000
_diffrn_orient_matrix_UB_12      -0.0195841000
_diffrn_orient_matrix_UB_13      -0.0307165000
_diffrn_orient_matrix_UB_21      0.0318363000
_diffrn_orient_matrix_UB_22      0.0395678000
_diffrn_orient_matrix_UB_23      -0.0129349000
_diffrn_orient_matrix_UB_31      0.0622654000
_diffrn_orient_matrix_UB_32      -0.0441084000
_diffrn_orient_matrix_UB_33      -0.0009105000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                11595
_reflns_number_total             13809
_reflns_odcompleteness_completeness 99.92
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     27.04
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.254
_refine_diff_density_min         -1.278
_refine_diff_density_rms         0.093
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     613
_refine_ls_number_reflns         13809
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0528
_refine_ls_R_factor_gt           0.0417
_refine_ls_restrained_S_all      1.035
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0282P)²+3.0572P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0856
_refine_ls_wR_factor_ref         0.0920
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Ternary CH refined with riding coordinates:
 C29(H29), C28(H28)
2.b Secondary CH2 refined with riding coordinates:
 C13(H13A,H13B), C13B(H13C,H13D), C14(H14A,H14B), C14B(H14C,H14D), C15(H15A,
 H15B), C15B(H15C,H15D)
2.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C2B(H2B), C3(H3), C3B(H3B), C4(H4), C4B(H4B), C5(H5), C5B(H5B),
 C6(H6), C6B(H6B), C8(H8), C8B(H8B), C9(H9), C9B(H9B), C10(H10), C10B(H10B),
 C11(H11), C11B(H11B), C12(H12), C12B(H12B), C17(H17), C17B(H17B), C18(H18),
 C18B(H18B), C19(H19), C19B(H19B), C20(H20), C20B(H20B), C21(H21), C21B(H21B),
 C23(H23), C23B(H23B), C24(H24), C24B(H24B), C25(H25), C25B(H25B), C26(H26),
 C26B(H26B), C27(H27), C27B(H27B)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 0.25485(2) 0.25957(2) 0.74391(2) 0.00834(5) Uani 1 1 d . . . . .
P1 P 0.16368(6) 0.32399(5) 0.84970(3) 0.01048(12) Uani 1 1 d . . . . .
P1B P 0.45590(6) 0.28158(5) 0.74607(3) 0.00954(12) Uani 1 1 d . . . . .
P2 P 0.05399(6) 0.24000(5) 0.74082(3) 0.01040(12) Uani 1 1 d . . . . .
P2B P 0.34676(6) 0.18945(5) 0.63837(3) 0.01002(12) Uani 1 1 d . . . . .
C1 C 0.2174(2) 0.4209(2) 0.89317(10) 0.0117(4) Uani 1 1 d . . . . .
C1B C 0.5105(2) 0.27119(19) 0.82055(10) 0.0105(4) Uani 1 1 d . . . . .
C2 C 0.2021(2) 0.5341(2) 0.87342(11) 0.0160(5) Uani 1 1 d . . . . .
H2 H 0.174369 0.555795 0.836327 0.019 Uiso 1 1 calc R . . . .
C2B C 0.5364(2) 0.1634(2) 0.84843(11) 0.0141(5) Uani 1 1 d . . . . .
H2B H 0.521566 0.101717 0.830429 0.017 Uiso 1 1 calc R . . . .
C3 C 0.2277(2) 0.6151(2) 0.90857(12) 0.0192(5) Uani 1 1 d . . . . .
H3 H 0.219275 0.689598 0.894453 0.023 Uiso 1 1 calc R . . . .
C3B C 0.5842(2) 0.1479(2) 0.90292(12) 0.0181(5) Uani 1 1 d . . . . .
H3B H 0.601720 0.075818 0.921102 0.022 Uiso 1 1 calc R . . . .
C4 C 0.2660(2) 0.5836(2) 0.96481(12) 0.0201(5) Uani 1 1 d . . . . .
H4 H 0.281070 0.637855 0.988941 0.024 Uiso 1 1 calc R . . . .
C4B C 0.6059(2) 0.2399(2) 0.93035(11) 0.0175(5) Uani 1 1 d . . . . .
H4B H 0.637464 0.229565 0.966931 0.021 Uiso 1 1 calc R . . . .
C5 C 0.2817(2) 0.4715(2) 0.98498(11) 0.0187(5) Uani 1 1 d . . . . .
H5 H 0.308160 0.450362 1.022396 0.022 Uiso 1 1 calc R . . . .
C5B C 0.5801(2) 0.3476(2) 0.90283(11) 0.0142(5) Uani 1 1 d . . . . .
H5B H 0.594034 0.409457 0.921177 0.017 Uiso 1 1 calc R . . . .
C6 C 0.2578(2) 0.3902(2) 0.94923(11) 0.0150(5) Uani 1 1 d . . . . .
H6 H 0.268828 0.314983 0.962896 0.018 Uiso 1 1 calc R . . . .
C6B C 0.5334(2) 0.3629(2) 0.84788(10) 0.0121(4) Uani 1 1 d . . . . .
H6B H 0.517380 0.434628 0.829342 0.015 Uiso 1 1 calc R . . . .
C7 C 0.1630(2) 0.2061(2) 0.90310(11) 0.0131(5) Uani 1 1 d . . . . .
C7B C 0.4678(2) 0.4220(2) 0.71907(10) 0.0139(5) Uani 1 1 d . . . . .
C8 C 0.2545(2) 0.0935(2) 0.88622(12) 0.0172(5) Uani 1 1 d . . . . .
H8 H 0.314766 0.078531 0.847659 0.021 Uiso 1 1 calc R . . . .
C8B C 0.3523(3) 0.5170(2) 0.72096(11) 0.0180(5) Uani 1 1 d . . . . .
H8B H 0.271750 0.505365 0.730328 0.022 Uiso 1 1 calc R . . . .
C9 C 0.2569(3) 0.0026(2) 0.92661(13) 0.0243(6) Uani 1 1 d . . . . .
H9 H 0.318669 -0.072408 0.914842 0.029 Uiso 1 1 calc R . . . .
C9B C 0.3554(3) 0.6290(2) 0.70906(13) 0.0259(6) Uani 1 1 d . . . . .
H9B H 0.277286 0.691757 0.710487 0.031 Uiso 1 1 calc R . . . .
C10 C 0.1674(3) 0.0239(3) 0.98434(14) 0.0282(6) Uani 1 1 d . . . . .
H10 H 0.169110 -0.036646 1.011280 0.034 Uiso 1 1 calc R . . . .
C10B C 0.4753(3) 0.6470(2) 0.69503(13) 0.0302(7) Uani 1 1 d . . . . .
H10B H 0.477534 0.722387 0.688725 0.036 Uiso 1 1 calc R . . . .
C11 C 0.0754(3) 0.1358(3) 1.00151(13) 0.0267(6) Uani 1 1 d . . . . .
H11 H 0.015026 0.150299 1.039991 0.032 Uiso 1 1 calc R . . . .
C11B C 0.5916(3) 0.5523(3) 0.69047(13) 0.0307(7) Uani 1 1 d . . . . .
H11B H 0.672125 0.563793 0.679590 0.037 Uiso 1 1 calc R . . . .
C12 C 0.0732(3) 0.2260(2) 0.96172(12) 0.0202(5) Uani 1 1 d . . . . .
H12 H 0.011378 0.300827 0.973835 0.024 Uiso 1 1 calc R . . . .
C12B C 0.5886(3) 0.4403(2) 0.70206(12) 0.0216(5) Uani 1 1 d . . . . .
H12B H 0.667057 0.377017 0.698516 0.026 Uiso 1 1 calc R . . . .
C13 C -0.0104(2) 0.4223(2) 0.86791(11) 0.0145(5) Uani 1 1 d . . . . .
H13A H -0.035303 0.447264 0.912218 0.017 Uiso 1 1 calc R . . . .
H13B H -0.016915 0.491983 0.844464 0.017 Uiso 1 1 calc R . . . .
C13B C 0.6091(2) 0.1723(2) 0.70072(11) 0.0138(5) Uani 1 1 d . . . . .
H13C H 0.682809 0.194644 0.705371 0.017 Uiso 1 1 calc R . . . .
H13D H 0.620090 0.096698 0.718729 0.017 Uiso 1 1 calc R . . . .
C14 C -0.1104(2) 0.3719(2) 0.85397(11) 0.0171(5) Uani 1 1 d . . . . .
H14A H -0.198580 0.424787 0.872977 0.020 Uiso 1 1 calc R . . . .
H14B H -0.097768 0.297002 0.872954 0.020 Uiso 1 1 calc R . . . .
C14B C 0.6152(2) 0.1577(2) 0.63096(11) 0.0159(5) Uani 1 1 d . . . . .
H14C H 0.704740 0.111731 0.609527 0.019 Uiso 1 1 calc R . . . .
H14D H 0.592036 0.234483 0.613689 0.019 Uiso 1 1 calc R . . . .
C15 C -0.0985(2) 0.3540(2) 0.78383(11) 0.0152(5) Uani 1 1 d . . . . .
H15A H -0.105043 0.428153 0.764890 0.018 Uiso 1 1 calc R . . . .
H15B H -0.173033 0.333918 0.778156 0.018 Uiso 1 1 calc R . . . .
C15B C 0.5222(2) 0.0971(2) 0.61883(11) 0.0133(5) Uani 1 1 d . . . . .
H15C H 0.534305 0.027944 0.643153 0.016 Uiso 1 1 calc R . . . .
H15D H 0.546745 0.070537 0.574748 0.016 Uiso 1 1 calc R . . . .
C16 C 0.0023(2) 0.2488(2) 0.66576(10) 0.0115(4) Uani 1 1 d . . . . .
C16B C 0.2929(2) 0.0853(2) 0.60093(10) 0.0121(4) Uani 1 1 d . . . . .
C17 C -0.0293(2) 0.1596(2) 0.64085(11) 0.0137(5) Uani 1 1 d . . . . .
H17 H -0.022423 0.091028 0.661773 0.016 Uiso 1 1 calc R . . . .
C17B C 0.2473(2) 0.1069(2) 0.54575(11) 0.0152(5) Uani 1 1 d . . . . .
H17B H 0.236140 0.179223 0.528201 0.018 Uiso 1 1 calc R . . . .
C18 C -0.0711(2) 0.1739(2) 0.58440(11) 0.0176(5) Uani 1 1 d . . . . .
H18 H -0.090204 0.113703 0.567465 0.021 Uiso 1 1 calc R . . . .
C18B C 0.2184(2) 0.0207(2) 0.51671(11) 0.0185(5) Uani 1 1 d . . . . .
H18B H 0.188634 0.035491 0.479687 0.022 Uiso 1 1 calc R . . . .
C19 C -0.0843(2) 0.2762(2) 0.55338(12) 0.0198(5) Uani 1 1 d . . . . .
H19 H -0.112738 0.284919 0.515948 0.024 Uiso 1 1 calc R . . . .
C19B C 0.2337(2) -0.0870(2) 0.54269(12) 0.0202(5) Uani 1 1 d . . . . .
H19B H 0.213822 -0.144134 0.523317 0.024 Uiso 1 1 calc R . . . .
C20 C -0.0551(3) 0.3661(2) 0.57831(12) 0.0212(5) Uani 1 1 d . . . . .
H20 H -0.064552 0.435453 0.557867 0.025 Uiso 1 1 calc R . . . .
C20B C 0.2790(2) -0.1093(2) 0.59783(12) 0.0199(5) Uani 1 1 d . . . . .
H20B H 0.288666 -0.181263 0.615572 0.024 Uiso 1 1 calc R . . . .
C21 C -0.0114(2) 0.3516(2) 0.63411(12) 0.0175(5) Uani 1 1 d . . . . .
H21 H 0.008906 0.411553 0.650492 0.021 Uiso 1 1 calc R . . . .
C21B C 0.3097(2) -0.0241(2) 0.62647(11) 0.0155(5) Uani 1 1 d . . . . .
H21B H 0.341692 -0.039976 0.662869 0.019 Uiso 1 1 calc R . . . .
C22 C 0.0375(2) 0.1034(2) 0.77195(11) 0.0130(5) Uani 1 1 d . . . . .
C22B C 0.3435(2) 0.3040(2) 0.58180(11) 0.0138(5) Uani 1 1 d . . . . .
C23 C -0.0838(2) 0.0869(2) 0.79024(12) 0.0179(5) Uani 1 1 d . . . . .
H23 H -0.161250 0.147958 0.788204 0.021 Uiso 1 1 calc R . . . .
C23B C 0.4192(2) 0.2776(2) 0.52022(12) 0.0195(5) Uani 1 1 d . . . . .
H23B H 0.470220 0.199976 0.506634 0.023 Uiso 1 1 calc R . . . .
C24 C -0.0887(3) -0.0205(2) 0.81144(13) 0.0243(6) Uani 1 1 d . . . . .
H24 H -0.169514 -0.031356 0.823110 0.029 Uiso 1 1 calc R . . . .
C24B C 0.4190(3) 0.3663(3) 0.47927(12) 0.0254(6) Uani 1 1 d . . . . .
H24B H 0.469443 0.347638 0.438359 0.030 Uiso 1 1 calc R . . . .
C25 C 0.0263(3) -0.1116(2) 0.81530(13) 0.0252(6) Uani 1 1 d . . . . .
H25 H 0.022519 -0.183495 0.829251 0.030 Uiso 1 1 calc R . . . .
C25B C 0.3441(3) 0.4823(3) 0.49879(13) 0.0275(6) Uani 1 1 d . . . . .
H25B H 0.344409 0.541658 0.471265 0.033 Uiso 1 1 calc R . . . .
C26 C 0.1466(3) -0.0953(2) 0.79834(12) 0.0226(6) Uani 1 1 d . . . . .
H26 H 0.223673 -0.155894 0.801439 0.027 Uiso 1 1 calc R . . . .
C26B C 0.2687(3) 0.5093(2) 0.55984(13) 0.0268(6) Uani 1 1 d . . . . .
H26B H 0.217940 0.587111 0.573270 0.032 Uiso 1 1 calc R . . . .
C27 C 0.1519(2) 0.0116(2) 0.77672(11) 0.0157(5) Uani 1 1 d . . . . .
H27 H 0.232981 0.021989 0.765254 0.019 Uiso 1 1 calc R . . . .
C27B C 0.2685(2) 0.4206(2) 0.60098(12) 0.0179(5) Uani 1 1 d . . . . .
H27B H 0.217712 0.439625 0.641816 0.021 Uiso 1 1 calc R . . . .
Cl2 Cl 0.60601(10) 0.83962(7) 0.94330(4) 0.0443(2) Uani 1 1 d . . . . .
Cl3 Cl 0.52240(8) 0.67449(6) 0.88547(4) 0.03617(18) Uani 1 1 d . . . . .
Cl4 Cl 0.77471(9) 0.69608(10) 0.83230(6) 0.0777(4) Uani 1 1 d . . . . .
C29 C 0.6120(3) 0.7715(2) 0.87203(14) 0.0281(6) Uani 1 1 d . . . . .
H29 H 0.570815 0.832627 0.845505 0.034 Uiso 1 1 calc R . . . .
Cl5 Cl 0.97140(9) 0.65616(7) 0.68954(4) 0.0496(2) Uani 1 1 d . . . . .
Cl6 Cl 0.80155(10) 0.72461(8) 0.60116(4) 0.0489(2) Uani 1 1 d . . . . .
Cl7 Cl 0.91073(10) 0.88651(7) 0.64269(4) 0.0475(2) Uani 1 1 d . . . . .
C28 C 0.8476(3) 0.7739(2) 0.66453(13) 0.0267(6) Uani 1 1 d . . . . .
H28 H 0.770217 0.803794 0.699484 0.032 Uiso 1 1 calc R . . . .
Cl1 Cl 0.52441(6) 0.91284(5) 0.75109(3) 0.01835(12) 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 P1 2.3394(6) . ?
Rh1 P1B 2.3445(6) . ?
Rh1 P2 2.3342(6) . ?
Rh1 P2B 2.3504(6) . ?
P1 C1 1.845(2) . ?
P1 C7 1.830(2) . ?
P1 C13 1.844(2) . ?
P1B C1B 1.843(2) . ?
P1B C7B 1.831(2) . ?
P1B C13B 1.840(2) . ?
P2 C15 1.843(2) . ?
P2 C16 1.841(2) . ?
P2 C22 1.831(2) . ?
P2B C15B 1.837(2) . ?
P2B C16B 1.841(2) . ?
P2B C22B 1.839(2) . ?
C1 C2 1.396(3) . ?
C1 C6 1.395(3) . ?
C1B C2B 1.397(3) . ?
C1B C6B 1.393(3) . ?
C2 H2 0.9300 . ?
C2 C3 1.397(3) . ?
C2B H2B 0.9300 . ?
C2B C3B 1.389(3) . ?
C3 H3 0.9300 . ?
C3 C4 1.390(4) . ?
C3B H3B 0.9300 . ?
C3B C4B 1.390(3) . ?
C4 H4 0.9300 . ?
C4 C5 1.387(4) . ?
C4B H4B 0.9300 . ?
C4B C5B 1.393(3) . ?
C5 H5 0.9300 . ?
C5 C6 1.396(3) . ?
C5B H5B 0.9300 . ?
C5B C6B 1.392(3) . ?
C6 H6 0.9300 . ?
C6B H6B 0.9300 . ?
C7 C8 1.389(3) . ?
C7 C12 1.407(3) . ?
C7B C8B 1.389(3) . ?
C7B C12B 1.401(3) . ?
C8 H8 0.9300 . ?
C8 C9 1.396(4) . ?
C8B H8B 0.9300 . ?
C8B C9B 1.389(3) . ?
C9 H9 0.9300 . ?
C9 C10 1.390(4) . ?
C9B H9B 0.9300 . ?
C9B C10B 1.389(4) . ?
C10 H10 0.9300 . ?
C10 C11 1.386(4) . ?
C10B H10B 0.9300 . ?
C10B C11B 1.386(4) . ?
C11 H11 0.9300 . ?
C11 C12 1.381(4) . ?
C11B H11B 0.9300 . ?
C11B C12B 1.388(4) . ?
C12 H12 0.9300 . ?
C12B H12B 0.9300 . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C13 C14 1.521(3) . ?
C13B H13C 0.9700 . ?
C13B H13D 0.9700 . ?
C13B C14B 1.521(3) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C14 C15 1.522(3) . ?
C14B H14C 0.9700 . ?
C14B H14D 0.9700 . ?
C14B C15B 1.523(3) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C15B H15C 0.9700 . ?
C15B H15D 0.9700 . ?
C16 C17 1.397(3) . ?
C16 C21 1.393(3) . ?
C16B C17B 1.393(3) . ?
C16B C21B 1.399(3) . ?
C17 H17 0.9300 . ?
C17 C18 1.397(3) . ?
C17B H17B 0.9300 . ?
C17B C18B 1.394(3) . ?
C18 H18 0.9300 . ?
C18 C19 1.382(4) . ?
C18B H18B 0.9300 . ?
C18B C19B 1.385(4) . ?
C19 H19 0.9300 . ?
C19 C20 1.390(4) . ?
C19B H19B 0.9300 . ?
C19B C20B 1.390(4) . ?
C20 H20 0.9300 . ?
C20 C21 1.393(3) . ?
C20B H20B 0.9300 . ?
C20B C21B 1.391(3) . ?
C21 H21 0.9300 . ?
C21B H21B 0.9300 . ?
C22 C23 1.399(3) . ?
C22 C27 1.393(3) . ?
C22B C23B 1.398(3) . ?
C22B C27B 1.388(3) . ?
C23 H23 0.9300 . ?
C23 C24 1.390(4) . ?
C23B H23B 0.9300 . ?
C23B C24B 1.386(4) . ?
C24 H24 0.9300 . ?
C24 C25 1.388(4) . ?
C24B H24B 0.9300 . ?
C24B C25B 1.383(4) . ?
C25 H25 0.9300 . ?
C25 C26 1.386(4) . ?
C25B H25B 0.9300 . ?
C25B C26B 1.388(4) . ?
C26 H26 0.9300 . ?
C26 C27 1.388(4) . ?
C26B H26B 0.9300 . ?
C26B C27B 1.389(4) . ?
C27 H27 0.9300 . ?
C27B H27B 0.9300 . ?
Cl2 C29 1.753(3) . ?
Cl3 C29 1.768(3) . ?
Cl4 C29 1.747(3) . ?
C29 H29 0.9800 . ?
Cl5 C28 1.781(3) . ?
Cl6 C28 1.755(3) . ?
Cl7 C28 1.753(3) . ?
C28 H28 0.9800 . ?

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
P1 Rh1 P1B 93.19(2) . . ?
P1 Rh1 P2B 178.38(2) . . ?
P1B Rh1 P2B 87.34(2) . . ?
P2 Rh1 P1 87.10(2) . . ?
P2 Rh1 P1B 179.15(2) . . ?
P2 Rh1 P2B 92.39(2) . . ?
C1 P1 Rh1 123.99(7) . . ?
C7 P1 Rh1 114.52(8) . . ?
C7 P1 C1 102.38(11) . . ?
C7 P1 C13 102.95(11) . . ?
C13 P1 Rh1 115.58(8) . . ?
C13 P1 C1 93.79(10) . . ?
C1B P1B Rh1 119.91(7) . . ?
C7B P1B Rh1 114.11(8) . . ?
C7B P1B C1B 102.41(10) . . ?
C7B P1B C13B 103.34(11) . . ?
C13B P1B Rh1 118.43(8) . . ?
C13B P1B C1B 95.60(10) . . ?
C15 P2 Rh1 117.93(8) . . ?
C16 P2 Rh1 119.83(7) . . ?
C16 P2 C15 95.25(10) . . ?
C22 P2 Rh1 113.59(8) . . ?
C22 P2 C15 103.08(11) . . ?
C22 P2 C16 104.37(11) . . ?
C15B P2B Rh1 116.65(8) . . ?
C15B P2B C16B 94.70(10) . . ?
C15B P2B C22B 101.30(11) . . ?
C16B P2B Rh1 121.57(7) . . ?
C22B P2B Rh1 115.08(8) . . ?
C22B P2B C16B 103.98(11) . . ?
C2 C1 P1 118.73(18) . . ?
C6 C1 P1 122.05(18) . . ?
C6 C1 C2 118.8(2) . . ?
C2B C1B P1B 117.44(17) . . ?
C6B C1B P1B 123.15(18) . . ?
C6B C1B C2B 119.3(2) . . ?
C1 C2 H2 119.5 . . ?
C1 C2 C3 120.9(2) . . ?
C3 C2 H2 119.5 . . ?
C1B C2B H2B 119.8 . . ?
C3B C2B C1B 120.3(2) . . ?
C3B C2B H2B 119.8 . . ?
C2 C3 H3 120.2 . . ?
C4 C3 C2 119.6(2) . . ?
C4 C3 H3 120.2 . . ?
C2B C3B H3B 119.9 . . ?
C2B C3B C4B 120.2(2) . . ?
C4B C3B H3B 119.9 . . ?
C3 C4 H4 120.0 . . ?
C5 C4 C3 120.1(2) . . ?
C5 C4 H4 120.0 . . ?
C3B C4B H4B 120.1 . . ?
C3B C4B C5B 119.7(2) . . ?
C5B C4B H4B 120.1 . . ?
C4 C5 H5 119.9 . . ?
C4 C5 C6 120.2(2) . . ?
C6 C5 H5 119.9 . . ?
C4B C5B H5B 119.9 . . ?
C6B C5B C4B 120.1(2) . . ?
C6B C5B H5B 119.9 . . ?
C1 C6 C5 120.5(2) . . ?
C1 C6 H6 119.8 . . ?
C5 C6 H6 119.8 . . ?
C1B C6B H6B 119.9 . . ?
C5B C6B C1B 120.3(2) . . ?
C5B C6B H6B 119.9 . . ?
C8 C7 P1 119.67(18) . . ?
C8 C7 C12 118.4(2) . . ?
C12 C7 P1 121.93(18) . . ?
C8B C7B P1B 118.79(18) . . ?
C8B C7B C12B 118.6(2) . . ?
C12B C7B P1B 122.31(19) . . ?
C7 C8 H8 119.7 . . ?
C7 C8 C9 120.6(2) . . ?
C9 C8 H8 119.7 . . ?
C7B C8B H8B 119.5 . . ?
C7B C8B C9B 121.0(2) . . ?
C9B C8B H8B 119.5 . . ?
C8 C9 H9 119.9 . . ?
C10 C9 C8 120.2(2) . . ?
C10 C9 H9 119.9 . . ?
C8B C9B H9B 120.1 . . ?
C10B C9B C8B 119.8(3) . . ?
C10B C9B H9B 120.1 . . ?
C9 C10 H10 120.2 . . ?
C11 C10 C9 119.6(3) . . ?
C11 C10 H10 120.2 . . ?
C9B C10B H10B 120.1 . . ?
C11B C10B C9B 119.7(3) . . ?
C11B C10B H10B 120.1 . . ?
C10 C11 H11 119.8 . . ?
C12 C11 C10 120.3(3) . . ?
C12 C11 H11 119.8 . . ?
C10B C11B H11B 119.8 . . ?
C10B C11B C12B 120.3(3) . . ?
C12B C11B H11B 119.8 . . ?
C7 C12 H12 119.6 . . ?
C11 C12 C7 120.9(2) . . ?
C11 C12 H12 119.6 . . ?
C7B C12B H12B 119.8 . . ?
C11B C12B C7B 120.3(3) . . ?
C11B C12B H12B 119.8 . . ?
P1 C13 H13A 108.1 . . ?
P1 C13 H13B 108.1 . . ?
H13A C13 H13B 107.3 . . ?
C14 C13 P1 116.70(16) . . ?
C14 C13 H13A 108.1 . . ?
C14 C13 H13B 108.1 . . ?
P1B C13B H13C 108.5 . . ?
P1B C13B H13D 108.5 . . ?
H13C C13B H13D 107.5 . . ?
C14B C13B P1B 115.03(16) . . ?
C14B C13B H13C 108.5 . . ?
C14B C13B H13D 108.5 . . ?
C13 C14 H14A 109.1 . . ?
C13 C14 H14B 109.1 . . ?
C13 C14 C15 112.6(2) . . ?
H14A C14 H14B 107.8 . . ?
C15 C14 H14A 109.1 . . ?
C15 C14 H14B 109.1 . . ?
C13B C14B H14C 109.2 . . ?
C13B C14B H14D 109.2 . . ?
C13B C14B C15B 112.03(19) . . ?
H14C C14B H14D 107.9 . . ?
C15B C14B H14C 109.2 . . ?
C15B C14B H14D 109.2 . . ?
P2 C15 H15A 108.3 . . ?
P2 C15 H15B 108.3 . . ?
C14 C15 P2 115.85(17) . . ?
C14 C15 H15A 108.3 . . ?
C14 C15 H15B 108.3 . . ?
H15A C15 H15B 107.4 . . ?
P2B C15B H15C 108.6 . . ?
P2B C15B H15D 108.6 . . ?
C14B C15B P2B 114.66(16) . . ?
C14B C15B H15C 108.6 . . ?
C14B C15B H15D 108.6 . . ?
H15C C15B H15D 107.6 . . ?
C17 C16 P2 123.00(18) . . ?
C21 C16 P2 118.02(18) . . ?
C21 C16 C17 118.9(2) . . ?
C17B C16B P2B 122.89(19) . . ?
C17B C16B C21B 119.0(2) . . ?
C21B C16B P2B 117.83(18) . . ?
C16 C17 H17 120.1 . . ?
C18 C17 C16 119.7(2) . . ?
C18 C17 H17 120.1 . . ?
C16B C17B H17B 119.9 . . ?
C16B C17B C18B 120.3(2) . . ?
C18B C17B H17B 119.9 . . ?
C17 C18 H18 119.6 . . ?
C19 C18 C17 120.9(2) . . ?
C19 C18 H18 119.6 . . ?
C17B C18B H18B 119.8 . . ?
C19B C18B C17B 120.3(2) . . ?
C19B C18B H18B 119.8 . . ?
C18 C19 H19 120.1 . . ?
C18 C19 C20 119.8(2) . . ?
C20 C19 H19 120.1 . . ?
C18B C19B H19B 120.1 . . ?
C18B C19B C20B 119.8(2) . . ?
C20B C19B H19B 120.1 . . ?
C19 C20 H20 120.2 . . ?
C19 C20 C21 119.6(2) . . ?
C21 C20 H20 120.2 . . ?
C19B C20B H20B 120.0 . . ?
C19B C20B C21B 120.0(2) . . ?
C21B C20B H20B 120.0 . . ?
C16 C21 C20 121.1(2) . . ?
C16 C21 H21 119.5 . . ?
C20 C21 H21 119.5 . . ?
C16B C21B H21B 119.8 . . ?
C20B C21B C16B 120.5(2) . . ?
C20B C21B H21B 119.8 . . ?
C23 C22 P2 123.10(19) . . ?
C27 C22 P2 118.03(18) . . ?
C27 C22 C23 118.9(2) . . ?
C23B C22B P2B 121.68(19) . . ?
C27B C22B P2B 119.65(18) . . ?
C27B C22B C23B 118.6(2) . . ?
C22 C23 H23 119.9 . . ?
C24 C23 C22 120.1(2) . . ?
C24 C23 H23 119.9 . . ?
C22B C23B H23B 119.7 . . ?
C24B C23B C22B 120.5(2) . . ?
C24B C23B H23B 119.7 . . ?
C23 C24 H24 119.8 . . ?
C25 C24 C23 120.3(2) . . ?
C25 C24 H24 119.8 . . ?
C23B C24B H24B 119.8 . . ?
C25B C24B C23B 120.5(2) . . ?
C25B C24B H24B 119.8 . . ?
C24 C25 H25 120.0 . . ?
C26 C25 C24 119.9(2) . . ?
C26 C25 H25 120.0 . . ?
C24B C25B H25B 120.3 . . ?
C24B C25B C26B 119.4(2) . . ?
C26B C25B H25B 120.3 . . ?
C25 C26 H26 120.1 . . ?
C25 C26 C27 119.8(2) . . ?
C27 C26 H26 120.1 . . ?
C25B C26B H26B 119.9 . . ?
C25B C26B C27B 120.3(3) . . ?
C27B C26B H26B 119.9 . . ?
C22 C27 H27 119.5 . . ?
C26 C27 C22 120.9(2) . . ?
C26 C27 H27 119.5 . . ?
C22B C27B C26B 120.7(2) . . ?
C22B C27B H27B 119.6 . . ?
C26B C27B H27B 119.6 . . ?
Cl2 C29 Cl3 110.28(15) . . ?
Cl2 C29 H29 108.3 . . ?
Cl3 C29 H29 108.3 . . ?
Cl4 C29 Cl2 111.19(17) . . ?
Cl4 C29 Cl3 110.29(16) . . ?
Cl4 C29 H29 108.3 . . ?
Cl5 C28 H28 109.2 . . ?
Cl6 C28 Cl5 110.18(15) . . ?
Cl6 C28 H28 109.2 . . ?
Cl7 C28 Cl5 108.37(16) . . ?
Cl7 C28 Cl6 110.65(16) . . ?
Cl7 C28 H28 109.2 . . ?

_olex2_date_sample_data_collection 2019-02-09
_olex2_exptl_crystal_mounting_method 'mounted in a polyimide loop'
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.571
_oxdiff_exptl_absorpt_empirical_full_min 0.695
####################################################################### 
# 
# 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_zl-0051
_database_code_depnum_ccdc_archive 'CCDC 1900600'
loop_
_audit_author_name
_audit_author_address
'Nathan Schley'
;Vanderbilt University
United States of America
;
_audit_update_record             
;
2019-04-22 deposited with the CCDC.	2019-05-14 downloaded from the CCDC.
;
_audit_creation_date             2018-10-31
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C54 H52 O2 P4 Rh, 3(C H Cl3), C32 H12 B F24'
_chemical_formula_sum            'C89 H67 B Cl9 F24 O2 P4 Rh'
_chemical_formula_weight         2181.07
_chemical_melting_point          ?
_chemical_oxdiff_formula         C90H67BCl9F24O2P4Rh1
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh 0.0927 3.6045 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.4257(6)
_cell_length_b                   19.1875(10)
_cell_length_c                   22.2983(10)
_cell_angle_alpha                82.035(4)
_cell_angle_beta                 76.317(4)
_cell_angle_gamma                79.953(4)
_cell_volume                     4652.7(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    7687
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      71.3620
_cell_measurement_theta_min      3.2520
_shelx_estimated_absorpt_T_max   0.900
_shelx_estimated_absorpt_T_min   0.439
_exptl_absorpt_coefficient_mu    5.357
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.449
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.557
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             2192
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0 -12 -2 0.0089
0 12 2 0.0109
0 0 14 0.0208
0 0 -14 0.0488
-7 -2 -5 0.0975
7 2 -1 0.0721

_exptl_crystal_size_max          0.184
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.02
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-0.0046 -11.9907 -2.0322 0.6512 0.7305 0.0134
0.0046 11.9907 2.0322 -0.6512 -0.7305 -0.0134
-0.0024 -0.0055 13.9833 0.1364 -0.1649 -0.9764
0.0024 0.0055 -13.9833 -0.1364 0.1649 0.9764
-6.9954 -1.9882 -5.0118 -0.7066 0.6333 -0.0750
6.9964 1.9905 -0.9811 0.6482 -0.5626 0.4935

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0586
_diffrn_reflns_av_unetI/netI     0.0851
_diffrn_reflns_Laue_measured_fraction_full 0.965
_diffrn_reflns_Laue_measured_fraction_max 0.939
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            40515
_diffrn_reflns_point_group_measured_fraction_full 0.965
_diffrn_reflns_point_group_measured_fraction_max 0.939
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         72.304
_diffrn_reflns_theta_min         2.351
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.1506
_diffrn_detector_type            EosS2
_diffrn_measured_fraction_theta_full 0.965
_diffrn_measured_fraction_theta_max 0.939
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -63.00  31.00   1.00    3.00    --  -36.45  77.00-120.00   94
  2  ω    -55.00  33.00   1.00    3.00    --  -36.45  38.00-150.00   88
  3  ω   -104.00 -20.00   1.00    3.00    --  -36.45 -57.00-150.00   84
  4  ω      9.00  47.00   1.00    3.00    --   36.45  79.00 149.76   38
  5  ω     10.00 104.00   1.00    3.00    --   36.45  77.00 -60.00   94
  6  ω     10.00 104.00   1.00    3.00    --   36.45  77.00 -30.00   94
  7  ω     10.00 104.00   1.00    3.00    --   36.45  77.00  90.00   94
  8  ω     18.00 106.00   1.00    3.00    --   36.45  38.00  60.00   88
  9  ω      8.00  46.00   1.00    3.00    --   36.45  80.00  19.52   38
 10  ω    -24.00  65.00   1.00    3.00    --   36.45 -80.00 169.15   89
 11  ω     91.00 176.00   1.00   12.00    --  108.65  61.00 -30.00   85
 12  ω     41.00 137.00   1.00   12.00    --  108.65 -80.00 -37.28   96
 13  ω     41.00 137.00   1.00   12.00    --  108.65 -80.00-119.72   96
 14  ω     91.00 176.00   1.00   12.00    --  108.65  61.00 -60.00   85
 15  ω     39.00 178.00   1.00   12.00    --  108.65   0.00 120.00  139
 16  ω     41.00 137.00   1.00   12.00    --  108.65 -80.00 144.38   96
 17  ω     41.00 137.00   1.00   12.00    --  108.65 -80.00 108.11   96
 18  ω     40.00 126.00   1.00   12.00    --  108.65 -45.00 -60.00   86
 19  ω     41.00 137.00   1.00   12.00    --  108.65 -80.00 -94.71   96
 20  ω     40.00 126.00   1.00   12.00    --  108.65 -45.00-150.00   86
 21  ω     82.00 176.00   1.00   12.00    --  108.65  77.00   0.00   94
 22  ω     41.00  55.00   1.00   12.00    --  108.65 -79.00  56.08   14
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, EosS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.1099429000
_diffrn_orient_matrix_UB_12      -0.0560010000
_diffrn_orient_matrix_UB_13      0.0097495000
_diffrn_orient_matrix_UB_21      -0.0653225000
_diffrn_orient_matrix_UB_22      -0.0588886000
_diffrn_orient_matrix_UB_23      -0.0118290000
_diffrn_orient_matrix_UB_31      0.0577037000
_diffrn_orient_matrix_UB_32      0.0106916000
_diffrn_orient_matrix_UB_33      -0.0698142000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                12397
_reflns_number_total             17273
_reflns_odcompleteness_completeness 96.62
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.49
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         2.746
_refine_diff_density_min         -1.504
_refine_diff_density_rms         0.114
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1320
_refine_ls_number_reflns         17273
_refine_ls_number_restraints     406
_refine_ls_R_factor_all          0.1239
_refine_ls_R_factor_gt           0.0929
_refine_ls_restrained_S_all      1.050
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0941P)²+27.4405P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2224
_refine_ls_wR_factor_ref         0.2448
_refine_special_details          
'Three disordered chloroform molecules were modeled over two positions each with similarity restraints placed on the C-Cl bond lengths and atom thermal parameters. A disordered trifluoromethyl group on the anion was modeled over two positions with similarity restraints placed on the C-F bond lengths and atom thermal parameters.'
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All O(H) groups
2. Restrained distances
 Cl7-C89 \\sim Cl9B-C89B
 with sigma of 0.02
 Cl9-C89 \\sim Cl8B-C89B
 with sigma of 0.02
 Cl8-C89 \\sim Cl7B-C89B
 with sigma of 0.02
 Cl7-Cl9 \\sim Cl9B-Cl8B
 with sigma of 0.04
 Cl7-Cl8 \\sim Cl9B-Cl7B
 with sigma of 0.04
 Cl9-Cl8 \\sim Cl8B-Cl7B
 with sigma of 0.04
 Cl2-Cl3 \\sim Cl2B-Cl3B
 with sigma of 0.04
 Cl1-C87 \\sim Cl1B-C87B
 with sigma of 0.02
 Cl2-C87 \\sim Cl2B-C87B
 with sigma of 0.02
 Cl3-C87 \\sim Cl3B-C87B
 with sigma of 0.02
 Cl1-Cl2 \\sim Cl1B-Cl2B
 with sigma of 0.04
 Cl1-Cl3 \\sim Cl1B-Cl3B
 with sigma of 0.04
 Cl5-C88 \\sim Cl6B-C88B
 with sigma of 0.02
 Cl6-C88 \\sim Cl4B-C88B
 with sigma of 0.02
 Cl4-C88 \\sim Cl5B-C88B
 with sigma of 0.02
 Cl5-Cl6 \\sim Cl6B-Cl4B
 with sigma of 0.04
 Cl5-Cl4 \\sim Cl6B-Cl5B
 with sigma of 0.04
 Cl6-Cl4 \\sim Cl4B-Cl5B
 with sigma of 0.04
 F24B-C0AA \\sim F24-C86
 with sigma of 0.02
 C83-C0AA \\sim C83-C86
 with sigma of 0.02
 F22B-C0AA \\sim F22-C86
 with sigma of 0.02
 F23B-C0AA \\sim F23-C86
 with sigma of 0.02
 F24B-C83 \\sim F24-C83
 with sigma of 0.04
 F24B-F22B \\sim F24-F22
 with sigma of 0.04
 F24B-F23B \\sim F24-F23
 with sigma of 0.04
 C83-F22B \\sim C83-F22
 with sigma of 0.04
 C83-F23B \\sim C83-F23
 with sigma of 0.04
 F22B-F23B \\sim F22-F23
 with sigma of 0.04
3. Uiso/Uaniso restraints and constraints
Cl1 \\sim Cl2 \\sim Cl3 \\sim C87: within 2A with sigma of 0.01 and sigma for
terminal atoms of 0.02
Cl7 \\sim Cl7B \\sim Cl8 \\sim Cl8B \\sim Cl9 \\sim Cl9B \\sim C89 \\sim C89B
\\sim Cl1 \\sim Cl1B \\sim Cl2 \\sim Cl2B \\sim Cl3 \\sim Cl3B \\sim C87 \\sim
C87B: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02
Cl4 \\sim Cl5 \\sim Cl6: within 2A with sigma of 0.01 and sigma for terminal
atoms of 0.02
Cl4 \\sim Cl4B \\sim Cl5 \\sim Cl5B \\sim Cl6 \\sim Cl6B \\sim C88 \\sim C88B:
within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02
F22 \\sim F22B \\sim F23 \\sim F23B \\sim F24 \\sim F24B \\sim C0AA \\sim C86:
within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02
4. Others
 Sof(Cl7B)=Sof(Cl8B)=Sof(Cl9B)=Sof(C89B)=Sof(H89B)=1-FVAR(1)
 Sof(Cl7)=Sof(Cl8)=Sof(Cl9)=Sof(C89)=Sof(H89)=FVAR(1)
 Sof(Cl1B)=Sof(Cl2B)=Sof(Cl3B)=Sof(C87B)=Sof(H87B)=1-FVAR(2)
 Sof(Cl1)=Sof(Cl2)=Sof(Cl3)=Sof(C87)=Sof(H87)=FVAR(2)
 Sof(Cl4B)=Sof(Cl5B)=Sof(Cl6B)=Sof(C88B)=Sof(H88B)=1-FVAR(3)
 Sof(Cl4)=Sof(Cl5)=Sof(Cl6)=Sof(C88)=Sof(H88)=FVAR(3)
 Sof(F22)=Sof(F23)=Sof(F24)=Sof(C86)=1-FVAR(4)
 Sof(F22B)=Sof(F23B)=Sof(F24B)=Sof(C0AA)=FVAR(4)
5.a Ternary CH refined with riding coordinates:
 C14(H14), C41(H41), C89(H89), C89B(H89B), C87(H87), C87B(H87B), C88(H88),
 C88B(H88B)
5.b Secondary CH2 refined with riding coordinates:
 C13(H13A,H13B), C15(H15A,H15B), C40(H40A,H40B), C42(H42A,H42B)
5.c Aromatic/amide H refined with riding coordinates:
 C2(H2A), C3(H3), C4(H4), C5(H5), C6(H6), C8(H8), C9(H9), C10(H10), C11(H11),
 C12(H12), C17(H17), C18(H18), C19(H19), C20(H20), C21(H21), C23(H23), C24(H24),
  C25(H25), C26(H26), C27(H27), C29(H29), C30(H30), C31(H31), C32(H32),
 C33(H33), C34(H34), C35(H35), C36(H36), C37(H37), C38(H38), C44(H44), C45(H45),
  C46(H46), C47(H47), C48(H48), C50(H50), C51(H51), C52(H52), C53(H53),
 C54(H54), C56(H56), C58(H58), C60(H60), C64(H64), C66(H66), C68(H68), C72(H72),
  C74(H74), C76(H76), C80(H80), C82(H82), C84(H84)
5.d Tetrahedral OH refined with riding coordinates:
 O1(H1)
5.e Idealised tetrahedral OH refined as rotating group:
 O2(H2)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 0.20336(5) 0.23588(3) 0.27640(2) 0.03182(15) Uani 1 1 d . . . . .
P1 P 0.04119(17) 0.19780(9) 0.34828(8) 0.0346(4) Uani 1 1 d . . . . .
P2 P 0.06927(17) 0.28854(9) 0.21545(8) 0.0344(4) Uani 1 1 d . . . . .
P3 P 0.31154(17) 0.25955(9) 0.34365(8) 0.0336(4) Uani 1 1 d . . . . .
P4 P 0.38141(16) 0.22910(8) 0.20035(8) 0.0319(4) Uani 1 1 d . . . . .
O1 O -0.2703(5) 0.3322(3) 0.3308(3) 0.0512(14) Uani 1 1 d . . . . .
H1 H -0.261459 0.367943 0.346274 0.077 Uiso 1 1 calc R . . . .
O2 O 0.6012(5) 0.3539(3) 0.2381(3) 0.0461(13) Uani 1 1 d . . . . .
H2 H 0.608666 0.368008 0.270873 0.069 Uiso 1 1 calc GR . . . .
C1 C 0.0544(7) 0.1585(4) 0.4268(4) 0.0402(16) Uani 1 1 d . . . . .
C2 C 0.0302(8) 0.2007(5) 0.4755(4) 0.0489(19) Uani 1 1 d . . . . .
H2A H 0.005510 0.250484 0.468642 0.059 Uiso 1 1 calc R . . . .
C3 C 0.0425(9) 0.1693(6) 0.5344(4) 0.062(2) Uani 1 1 d . . . . .
H3 H 0.025590 0.198043 0.567803 0.074 Uiso 1 1 calc R . . . .
C4 C 0.0780(9) 0.0987(6) 0.5445(4) 0.065(3) Uani 1 1 d . . . . .
H4 H 0.085974 0.078044 0.584859 0.079 Uiso 1 1 calc R . . . .
C5 C 0.1029(9) 0.0562(5) 0.4968(5) 0.062(3) Uani 1 1 d . . . . .
H5 H 0.128303 0.006523 0.504121 0.075 Uiso 1 1 calc R . . . .
C6 C 0.0907(8) 0.0865(5) 0.4375(4) 0.052(2) Uani 1 1 d . . . . .
H6 H 0.107395 0.057240 0.404534 0.062 Uiso 1 1 calc R . . . .
C7 C -0.0078(6) 0.1249(4) 0.3204(3) 0.0354(15) Uani 1 1 d . . . . .
C8 C 0.0731(8) 0.0867(4) 0.2759(4) 0.055(2) Uani 1 1 d . . . . .
H8 H 0.151451 0.100038 0.258921 0.066 Uiso 1 1 calc R . . . .
C9 C 0.0401(10) 0.0283(5) 0.2556(5) 0.068(3) Uani 1 1 d . . . . .
H9 H 0.097209 0.001754 0.225671 0.081 Uiso 1 1 calc R . . . .
C10 C -0.0728(8) 0.0092(4) 0.2783(4) 0.052(2) Uani 1 1 d . . . . .
H10 H -0.095455 -0.029605 0.263650 0.063 Uiso 1 1 calc R . . . .
C11 C -0.1536(8) 0.0472(5) 0.3227(4) 0.055(2) Uani 1 1 d . . . . .
H11 H -0.232046 0.034038 0.339522 0.066 Uiso 1 1 calc R . . . .
C12 C -0.1208(8) 0.1047(4) 0.3429(4) 0.049(2) Uani 1 1 d . . . . .
H12 H -0.177935 0.130702 0.373203 0.059 Uiso 1 1 calc R . . . .
C13 C -0.1001(7) 0.2606(4) 0.3657(3) 0.0390(16) Uani 1 1 d . . . . .
H13A H -0.161672 0.236049 0.396215 0.047 Uiso 1 1 calc R . . . .
H13B H -0.084299 0.300247 0.385239 0.047 Uiso 1 1 calc R . . . .
C14 C -0.1527(7) 0.2912(4) 0.3097(3) 0.0394(16) Uani 1 1 d . . . . .
H14 H -0.164949 0.250656 0.289180 0.047 Uiso 1 1 calc R . . . .
C15 C -0.0696(7) 0.3362(4) 0.2619(3) 0.0404(17) Uani 1 1 d . . . . .
H15A H -0.044596 0.370520 0.283941 0.048 Uiso 1 1 calc R . . . .
H15B H -0.118040 0.364042 0.232916 0.048 Uiso 1 1 calc R . . . .
C16 C 0.1249(7) 0.3663(4) 0.1668(3) 0.0384(16) Uani 1 1 d . . . . .
C17 C 0.1051(7) 0.3869(4) 0.1077(3) 0.0389(16) Uani 1 1 d . . . . .
H17 H 0.062005 0.359967 0.089925 0.047 Uiso 1 1 calc R . . . .
C18 C 0.1491(8) 0.4476(4) 0.0743(4) 0.0456(19) Uani 1 1 d . . . . .
H18 H 0.134578 0.462203 0.033899 0.055 Uiso 1 1 calc R . . . .
C19 C 0.2137(8) 0.4870(4) 0.0993(4) 0.0478(19) Uani 1 1 d . . . . .
H19 H 0.245183 0.527407 0.075651 0.057 Uiso 1 1 calc R . . . .
C20 C 0.2314(9) 0.4670(4) 0.1582(4) 0.051(2) Uani 1 1 d . . . . .
H20 H 0.274186 0.494076 0.175984 0.061 Uiso 1 1 calc R . . . .
C21 C 0.1870(8) 0.4073(4) 0.1918(4) 0.0439(18) Uani 1 1 d . . . . .
H21 H 0.199080 0.394065 0.232836 0.053 Uiso 1 1 calc R . . . .
C22 C 0.0088(7) 0.2438(4) 0.1653(3) 0.0348(15) Uani 1 1 d . . . . .
C23 C 0.0769(8) 0.1819(4) 0.1412(4) 0.050(2) Uani 1 1 d . . . . .
H23 H 0.153094 0.163792 0.151727 0.061 Uiso 1 1 calc R . . . .
C24 C 0.0352(9) 0.1469(5) 0.1024(5) 0.062(3) Uani 1 1 d . . . . .
H24 H 0.083965 0.105517 0.086006 0.074 Uiso 1 1 calc R . . . .
C25 C -0.0741(9) 0.1701(5) 0.0869(4) 0.053(2) Uani 1 1 d . . . . .
H25 H -0.103326 0.144447 0.061441 0.063 Uiso 1 1 calc R . . . .
C26 C -0.1425(7) 0.2323(4) 0.1091(4) 0.0437(18) Uani 1 1 d . . . . .
H26 H -0.217943 0.250288 0.097706 0.052 Uiso 1 1 calc R . . . .
C27 C -0.1008(7) 0.2680(4) 0.1478(3) 0.0416(17) Uani 1 1 d . . . . .
H27 H -0.148752 0.310266 0.162805 0.050 Uiso 1 1 calc R . . . .
C28 C 0.4093(7) 0.1936(4) 0.3850(3) 0.0362(15) Uani 1 1 d . . . . .
C29 C 0.5018(7) 0.2115(4) 0.4087(4) 0.0440(18) Uani 1 1 d . . . . .
H29 H 0.515557 0.259625 0.403968 0.053 Uiso 1 1 calc R . . . .
C30 C 0.5725(7) 0.1600(4) 0.4385(4) 0.0440(18) Uani 1 1 d . . . . .
H30 H 0.633773 0.172750 0.455368 0.053 Uiso 1 1 calc R . . . .
C31 C 0.5560(8) 0.0898(4) 0.4444(4) 0.049(2) Uani 1 1 d . . . . .
H31 H 0.606796 0.054317 0.464551 0.059 Uiso 1 1 calc R . . . .
C32 C 0.4665(10) 0.0712(4) 0.4214(5) 0.063(3) Uani 1 1 d . . . . .
H32 H 0.455032 0.022731 0.425249 0.076 Uiso 1 1 calc R . . . .
C33 C 0.3916(8) 0.1238(4) 0.3920(4) 0.049(2) Uani 1 1 d . . . . .
H33 H 0.328144 0.111073 0.376762 0.059 Uiso 1 1 calc R . . . .
C34 C 0.2298(8) 0.3041(4) 0.4650(4) 0.049(2) Uani 1 1 d . . . . .
H34 H 0.291616 0.268750 0.476949 0.059 Uiso 1 1 calc R . . . .
C35 C 0.1544(10) 0.3474(5) 0.5080(4) 0.060(3) Uani 1 1 d . . . . .
H35 H 0.165202 0.341385 0.549403 0.072 Uiso 1 1 calc R . . . .
C36 C 0.0633(9) 0.3994(4) 0.4914(4) 0.056(2) Uani 1 1 d . . . . .
H36 H 0.011049 0.427868 0.521385 0.067 Uiso 1 1 calc R . . . .
C37 C 0.0496(8) 0.4090(4) 0.4309(4) 0.052(2) Uani 1 1 d . . . . .
H37 H -0.011708 0.444818 0.418980 0.062 Uiso 1 1 calc R . . . .
C38 C 0.1258(8) 0.3663(4) 0.3869(4) 0.0430(18) Uani 1 1 d . . . . .
H38 H 0.117053 0.373841 0.345036 0.052 Uiso 1 1 calc R . . . .
C39 C 0.2136(7) 0.3133(4) 0.4041(3) 0.0389(16) Uani 1 1 d . . . . .
C40 C 0.4124(7) 0.3256(4) 0.3060(3) 0.0375(16) Uani 1 1 d . . . . .
H40A H 0.362074 0.367950 0.289545 0.045 Uiso 1 1 calc R . . . .
H40B H 0.446301 0.340718 0.338292 0.045 Uiso 1 1 calc R . . . .
C41 C 0.5182(7) 0.3021(4) 0.2535(4) 0.0397(16) Uani 1 1 d . . . . .
H41 H 0.562081 0.254989 0.267098 0.048 Uiso 1 1 calc R . . . .
C42 C 0.4797(7) 0.2970(4) 0.1935(3) 0.0366(15) Uani 1 1 d . . . . .
H42A H 0.553589 0.286181 0.160708 0.044 Uiso 1 1 calc R . . . .
H42B H 0.436100 0.343832 0.180417 0.044 Uiso 1 1 calc R . . . .
C43 C 0.3807(7) 0.2254(4) 0.1186(3) 0.0386(16) Uani 1 1 d . . . . .
C44 C 0.3892(8) 0.1597(4) 0.0962(4) 0.0471(19) Uani 1 1 d . . . . .
H44 H 0.400622 0.117160 0.122836 0.056 Uiso 1 1 calc R . . . .
C45 C 0.3816(9) 0.1558(4) 0.0366(4) 0.052(2) Uani 1 1 d . . . . .
H45 H 0.385727 0.110814 0.022454 0.062 Uiso 1 1 calc R . . . .
C46 C 0.3676(8) 0.2179(5) -0.0035(4) 0.053(2) Uani 1 1 d . . . . .
H46 H 0.362339 0.215448 -0.045052 0.064 Uiso 1 1 calc R . . . .
C47 C 0.3614(8) 0.2830(4) 0.0178(4) 0.0458(19) Uani 1 1 d . . . . .
H47 H 0.352449 0.325355 -0.009367 0.055 Uiso 1 1 calc R . . . .
C48 C 0.3680(7) 0.2873(4) 0.0778(3) 0.0419(17) Uani 1 1 d . . . . .
H48 H 0.363901 0.332396 0.091787 0.050 Uiso 1 1 calc R . . . .
C49 C 0.4804(7) 0.1455(3) 0.2154(3) 0.0343(15) Uani 1 1 d . . . . .
C50 C 0.4303(7) 0.0869(4) 0.2481(4) 0.0442(18) Uani 1 1 d . . . . .
H50 H 0.345371 0.091281 0.265554 0.053 Uiso 1 1 calc R . . . .
C51 C 0.5035(8) 0.0216(4) 0.2556(4) 0.051(2) Uani 1 1 d . . . . .
H51 H 0.468001 -0.018590 0.276938 0.061 Uiso 1 1 calc R . . . .
C52 C 0.6251(8) 0.0152(4) 0.2325(4) 0.0468(19) Uani 1 1 d . . . . .
H52 H 0.675031 -0.028996 0.238922 0.056 Uiso 1 1 calc R . . . .
C53 C 0.6758(8) 0.0718(4) 0.2002(5) 0.056(2) Uani 1 1 d . . . . .
H53 H 0.760965 0.066902 0.183265 0.067 Uiso 1 1 calc R . . . .
C54 C 0.6033(8) 0.1370(4) 0.1920(5) 0.054(2) Uani 1 1 d . . . . .
H54 H 0.639873 0.176380 0.169647 0.065 Uiso 1 1 calc R . . . .
Cl7 Cl -0.4778(6) 0.5869(3) 0.5317(2) 0.1023(16) Uani 0.734(6) 1 d D U P A 1
Cl7B Cl -0.664(2) 0.5543(10) 0.4932(9) 0.154(6) Uani 0.266(6) 1 d D U P A 2
Cl8 Cl -0.7123(7) 0.6299(5) 0.5042(3) 0.158(3) Uani 0.734(6) 1 d D U P A 1
Cl8B Cl -0.6978(19) 0.7051(10) 0.4718(8) 0.146(6) Uani 0.266(6) 1 d D U P A 2
Cl9 Cl -0.5021(7) 0.6914(3) 0.4319(3) 0.130(2) Uani 0.734(6) 1 d D U P A 1
Cl9B Cl -0.487(2) 0.6248(13) 0.5105(12) 0.169(6) Uani 0.266(6) 1 d D U P A 2
C89 C -0.554(2) 0.6154(13) 0.4715(10) 0.131(4) Uani 0.734(6) 1 d D U P A 1
H89 H -0.535824 0.577517 0.442626 0.157 Uiso 0.734(6) 1 calc R . P A 1
C89B C -0.590(3) 0.6306(18) 0.4630(18) 0.142(5) Uani 0.266(6) 1 d D U P A 2
H89B H -0.547193 0.627879 0.418575 0.171 Uiso 0.266(6) 1 calc R . P A 2
Cl1 Cl -0.4383(3) 0.54382(17) 0.1077(2) 0.0798(12) Uani 0.764(5) 1 d D U P B 1
Cl1B Cl -0.4631(19) 0.4683(10) 0.0568(9) 0.132(6) Uani 0.236(5) 1 d D U P B 2
Cl2 Cl -0.2213(4) 0.4858(2) 0.1490(3) 0.114(2) Uani 0.764(5) 1 d D U P B 1
Cl2B Cl -0.4096(17) 0.5265(8) 0.1541(8) 0.106(4) Uani 0.236(5) 1 d D U P B 2
Cl3 Cl -0.3079(7) 0.4134(2) 0.06727(19) 0.109(2) Uani 0.764(5) 1 d D U P B 1
Cl3B Cl -0.2253(14) 0.4296(7) 0.0698(7) 0.089(4) Uani 0.236(5) 1 d D U P B 2
C87 C -0.3449(14) 0.4661(6) 0.1282(6) 0.068(3) Uani 0.764(5) 1 d D U P B 1
H87 H -0.392981 0.439644 0.164938 0.081 Uiso 0.764(5) 1 calc R . P B 1
C87B C -0.370(2) 0.4570(19) 0.1108(15) 0.090(5) Uani 0.236(5) 1 d D U P B 2
H87B H -0.393871 0.414750 0.139943 0.108 Uiso 0.236(5) 1 calc R . P B 2
Cl4 Cl -1.0210(8) 0.7021(7) 0.2393(5) 0.177(3) Uani 0.587(6) 1 d D U P C 2
Cl4B Cl -1.0353(13) 0.7172(9) 0.3138(6) 0.177(5) Uani 0.413(6) 1 d D U P C 1
Cl5 Cl -0.9105(10) 0.8260(6) 0.2316(5) 0.168(3) Uani 0.587(6) 1 d D U P C 2
Cl5B Cl -0.8905(15) 0.6639(10) 0.2115(7) 0.192(5) Uani 0.413(6) 1 d D U P C 1
Cl6 Cl -0.8858(6) 0.7438(6) 0.3151(3) 0.150(3) Uani 0.587(6) 1 d D U P C 2
Cl6B Cl -0.9939(10) 0.8114(8) 0.2082(5) 0.145(4) Uani 0.413(6) 1 d D U P C 1
C88 C -0.901(3) 0.7417(16) 0.2451(13) 0.156(4) Uani 0.587(6) 1 d D U P C 2
H88 H -0.823886 0.718382 0.219653 0.187 Uiso 0.587(6) 1 calc R . P C 2
C88B C -0.939(4) 0.7414(17) 0.2493(13) 0.159(4) Uani 0.413(6) 1 d D U P C 1
H88B H -0.867098 0.753431 0.261647 0.191 Uiso 0.413(6) 1 calc R . P C 1
F1 F -0.6936(7) 0.9918(3) 0.1441(3) 0.0833(19) Uani 1 1 d . . . . .
F2 F -0.7912(11) 0.9704(4) 0.0857(7) 0.180(6) Uani 1 1 d . . . . .
F3 F -0.6070(13) 0.9782(4) 0.0542(5) 0.218(8) Uani 1 1 d . . . . .
F4 F -0.7919(9) 0.6742(7) 0.1097(6) 0.167(5) Uani 1 1 d . . . . .
F5 F -0.7497(12) 0.7295(4) 0.0245(5) 0.175(6) Uani 1 1 d . . . . .
F6 F -0.6243(6) 0.6486(3) 0.0549(4) 0.089(2) Uani 1 1 d . . . . .
F7 F -0.1179(6) 0.9399(3) 0.1370(3) 0.083(2) Uani 1 1 d . . . . .
F8 F -0.2067(11) 0.9553(4) 0.0640(5) 0.149(4) Uani 1 1 d . . . . .
F9 F -0.0189(8) 0.9107(4) 0.0489(4) 0.135(4) Uani 1 1 d . . . . .
F10 F 0.0285(6) 0.6666(3) 0.0139(3) 0.083(2) Uani 1 1 d . . . . .
F11 F -0.1244(5) 0.6111(3) 0.0447(3) 0.0727(16) Uani 1 1 d . . . . .
F12 F -0.0039(6) 0.6069(3) 0.1033(3) 0.0794(18) Uani 1 1 d . . . . .
F13 F -0.1859(7) 0.5768(3) 0.3601(4) 0.101(3) Uani 1 1 d . . . . .
F14 F -0.1287(7) 0.5254(4) 0.2785(3) 0.101(2) Uani 1 1 d . . . . .
F15 F -0.2310(7) 0.4745(3) 0.3584(4) 0.095(2) Uani 1 1 d . . . . .
F16 F -0.6898(9) 0.5191(6) 0.2792(4) 0.138(4) Uani 1 1 d . . . . .
F17 F -0.6542(8) 0.4855(4) 0.3645(4) 0.106(3) Uani 1 1 d . . . . .
F18 F -0.7539(8) 0.5854(4) 0.3501(6) 0.160(5) Uani 1 1 d . . . . .
F19 F -0.2041(6) 0.8751(4) 0.3425(3) 0.086(2) Uani 1 1 d . . . . .
F20 F -0.2619(9) 0.7981(4) 0.4138(5) 0.140(4) Uani 1 1 d . . . . .
F21 F -0.3302(8) 0.9037(6) 0.4222(4) 0.143(4) Uani 1 1 d . . . . .
F22 F -0.8040(13) 0.8151(10) 0.3908(9) 0.131(5) Uani 0.544(13) 1 d D U P D 2
F22B F -0.8187(15) 0.8799(13) 0.3623(10) 0.095(5) Uani 0.456(13) 1 d D U P D 1
F23 F -0.8059(14) 0.9215(10) 0.3608(8) 0.091(5) Uani 0.544(13) 1 d D U P D 2
F23B F -0.7416(15) 0.9688(10) 0.3679(9) 0.118(6) Uani 0.456(13) 1 d D U P D 1
F24 F -0.757(2) 0.8779(15) 0.4473(7) 0.103(5) Uani 0.544(13) 1 d D U P D 2
F24B F -0.762(3) 0.8939(18) 0.4439(8) 0.103(6) Uani 0.456(13) 1 d D U P D 1
C0AA C -0.7292(19) 0.8982(15) 0.3858(11) 0.097(5) Uani 0.456(13) 1 d D U P D 1
C55 C -0.5404(7) 0.7780(4) 0.1708(3) 0.0385(16) Uani 1 1 d . . . . .
C56 C -0.5776(7) 0.8506(4) 0.1565(4) 0.0429(17) Uani 1 1 d . . . . .
H56 H -0.552723 0.884109 0.176755 0.052 Uiso 1 1 calc R . . . .
C57 C -0.6497(8) 0.8751(4) 0.1138(4) 0.050(2) Uani 1 1 d . . . . .
C58 C -0.6892(8) 0.8277(5) 0.0838(4) 0.053(2) Uani 1 1 d . . . . .
H58 H -0.738358 0.844267 0.054354 0.064 Uiso 1 1 calc R . . . .
C59 C -0.6551(8) 0.7563(5) 0.0979(4) 0.050(2) Uani 1 1 d . . . . .
C60 C -0.5809(7) 0.7317(4) 0.1401(4) 0.0455(18) Uani 1 1 d . . . . .
H60 H -0.557312 0.681896 0.148101 0.055 Uiso 1 1 calc R . . . .
C61 C -0.6833(11) 0.9532(5) 0.0982(5) 0.070(3) Uani 1 1 d . . . . .
C62 C -0.6974(9) 0.7039(6) 0.0668(6) 0.069(3) Uani 1 1 d . . . . .
C63 C -0.3101(7) 0.7623(4) 0.1666(3) 0.0389(16) Uani 1 1 d . . . . .
C64 C -0.2693(8) 0.8284(4) 0.1494(4) 0.0455(18) Uani 1 1 d . . . . .
H64 H -0.315104 0.868511 0.169044 0.055 Uiso 1 1 calc R . . . .
C65 C -0.1634(9) 0.8376(5) 0.1041(4) 0.052(2) Uani 1 1 d . . . . .
C66 C -0.0927(8) 0.7810(5) 0.0759(4) 0.051(2) Uani 1 1 d . . . . .
H66 H -0.019356 0.786655 0.046131 0.062 Uiso 1 1 calc R . . . .
C67 C -0.1318(7) 0.7150(4) 0.0921(4) 0.0437(18) Uani 1 1 d . . . . .
C68 C -0.2368(7) 0.7054(4) 0.1365(3) 0.0386(16) Uani 1 1 d . . . . .
H68 H -0.259652 0.659239 0.146839 0.046 Uiso 1 1 calc R . . . .
C69 C -0.1257(11) 0.9099(5) 0.0875(6) 0.074(3) Uani 1 1 d . . . . .
C70 C -0.0573(8) 0.6505(5) 0.0635(4) 0.053(2) Uani 1 1 d . . . . .
C71 C -0.4419(7) 0.6725(4) 0.2503(3) 0.0404(17) Uani 1 1 d . . . . .
C72 C -0.3372(8) 0.6360(4) 0.2701(4) 0.0449(18) Uani 1 1 d . . . . .
H72 H -0.264081 0.656428 0.258339 0.054 Uiso 1 1 calc R . . . .
C73 C -0.3377(9) 0.5710(4) 0.3064(4) 0.0481(19) Uani 1 1 d . . . . .
C74 C -0.4423(10) 0.5391(4) 0.3244(4) 0.056(2) Uani 1 1 d . . . . .
H74 H -0.442203 0.494334 0.348597 0.067 Uiso 1 1 calc R . . . .
C75 C -0.5476(9) 0.5745(4) 0.3060(4) 0.051(2) Uani 1 1 d . . . . .
C76 C -0.5445(8) 0.6396(4) 0.2697(4) 0.0458(18) Uani 1 1 d . . . . .
H76 H -0.617091 0.662693 0.257588 0.055 Uiso 1 1 calc R . . . .
C77 C -0.2224(10) 0.5369(4) 0.3258(5) 0.063(3) Uani 1 1 d . . . . .
C78 C -0.6613(11) 0.5437(5) 0.3249(5) 0.066(3) Uani 1 1 d . . . . .
C79 C -0.4664(7) 0.8018(3) 0.2726(3) 0.0363(16) Uani 1 1 d . . . . .
C80 C -0.3741(7) 0.8135(3) 0.2992(3) 0.0381(16) Uani 1 1 d . . . . .
H80 H -0.291749 0.798613 0.279784 0.046 Uiso 1 1 calc R . . . .
C81 C -0.3989(7) 0.8463(4) 0.3532(3) 0.0401(17) Uani 1 1 d . . . . .
C82 C -0.5161(8) 0.8689(4) 0.3837(4) 0.0473(19) Uani 1 1 d . . . . .
H82 H -0.532826 0.890824 0.421076 0.057 Uiso 1 1 calc R . . . .
C83 C -0.6084(8) 0.8581(4) 0.3571(4) 0.054(2) Uani 1 1 d D . . . .
C84 C -0.5851(7) 0.8256(4) 0.3032(4) 0.0414(17) Uani 1 1 d . . . . .
H84 H -0.651356 0.819362 0.286496 0.050 Uiso 1 1 calc R . . . .
C85 C -0.2966(8) 0.8554(4) 0.3814(4) 0.050(2) Uani 1 1 d . . . . .
C86 C -0.7400(15) 0.8700(16) 0.3906(10) 0.096(4) Uani 0.544(13) 1 d D U P D 2
B1 B -0.4421(8) 0.7540(4) 0.2141(4) 0.0382(18) 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 P1 2.2976(19) . ?
Rh1 P2 2.2977(19) . ?
Rh1 P3 2.2899(19) . ?
Rh1 P4 2.3170(18) . ?
P1 C1 1.837(8) . ?
P1 C7 1.827(7) . ?
P1 C13 1.834(7) . ?
P2 C15 1.844(7) . ?
P2 C16 1.833(7) . ?
P2 C22 1.817(7) . ?
P3 C28 1.837(7) . ?
P3 C39 1.845(7) . ?
P3 C40 1.843(7) . ?
P4 C42 1.833(7) . ?
P4 C43 1.837(8) . ?
P4 C49 1.834(7) . ?
O1 H1 0.8400 . ?
O1 C14 1.442(9) . ?
O2 H2 0.8400 . ?
O2 C41 1.443(9) . ?
C1 C2 1.391(11) . ?
C1 C6 1.376(11) . ?
C2 H2A 0.9500 . ?
C2 C3 1.396(12) . ?
C3 H3 0.9500 . ?
C3 C4 1.350(15) . ?
C4 H4 0.9500 . ?
C4 C5 1.376(15) . ?
C5 H5 0.9500 . ?
C5 C6 1.396(12) . ?
C6 H6 0.9500 . ?
C7 C8 1.381(10) . ?
C7 C12 1.372(11) . ?
C8 H8 0.9500 . ?
C8 C9 1.404(12) . ?
C9 H9 0.9500 . ?
C9 C10 1.364(13) . ?
C10 H10 0.9500 . ?
C10 C11 1.378(12) . ?
C11 H11 0.9500 . ?
C11 C12 1.386(12) . ?
C12 H12 0.9500 . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C13 C14 1.514(10) . ?
C14 H14 1.0000 . ?
C14 C15 1.528(11) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 C17 1.383(10) . ?
C16 C21 1.392(11) . ?
C17 H17 0.9500 . ?
C17 C18 1.397(11) . ?
C18 H18 0.9500 . ?
C18 C19 1.390(12) . ?
C19 H19 0.9500 . ?
C19 C20 1.369(11) . ?
C20 H20 0.9500 . ?
C20 C21 1.385(11) . ?
C21 H21 0.9500 . ?
C22 C23 1.401(10) . ?
C22 C27 1.384(10) . ?
C23 H23 0.9500 . ?
C23 C24 1.377(12) . ?
C24 H24 0.9500 . ?
C24 C25 1.358(13) . ?
C25 H25 0.9500 . ?
C25 C26 1.391(12) . ?
C26 H26 0.9500 . ?
C26 C27 1.383(11) . ?
C27 H27 0.9500 . ?
C28 C29 1.398(11) . ?
C28 C33 1.371(10) . ?
C29 H29 0.9500 . ?
C29 C30 1.366(11) . ?
C30 H30 0.9500 . ?
C30 C31 1.377(12) . ?
C31 H31 0.9500 . ?
C31 C32 1.366(13) . ?
C32 H32 0.9500 . ?
C32 C33 1.400(11) . ?
C33 H33 0.9500 . ?
C34 H34 0.9500 . ?
C34 C35 1.388(11) . ?
C34 C39 1.397(11) . ?
C35 H35 0.9500 . ?
C35 C36 1.390(12) . ?
C36 H36 0.9500 . ?
C36 C37 1.377(12) . ?
C37 H37 0.9500 . ?
C37 C38 1.401(11) . ?
C38 H38 0.9500 . ?
C38 C39 1.381(10) . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C40 C41 1.524(10) . ?
C41 H41 1.0000 . ?
C41 C42 1.523(10) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C43 C44 1.398(11) . ?
C43 C48 1.400(10) . ?
C44 H44 0.9500 . ?
C44 C45 1.364(11) . ?
C45 H45 0.9500 . ?
C45 C46 1.398(11) . ?
C46 H46 0.9500 . ?
C46 C47 1.382(12) . ?
C47 H47 0.9500 . ?
C47 C48 1.372(11) . ?
C48 H48 0.9500 . ?
C49 C50 1.387(10) . ?
C49 C54 1.366(11) . ?
C50 H50 0.9500 . ?
C50 C51 1.392(10) . ?
C51 H51 0.9500 . ?
C51 C52 1.352(12) . ?
C52 H52 0.9500 . ?
C52 C53 1.356(12) . ?
C53 H53 0.9500 . ?
C53 C54 1.389(11) . ?
C54 H54 0.9500 . ?
Cl7 C89 1.74(2) . ?
Cl7B C89B 1.79(3) . ?
Cl8 C89 1.78(3) . ?
Cl8B C89B 1.72(3) . ?
Cl9 C89 1.72(2) . ?
Cl9B C89B 1.74(3) . ?
C89 H89 1.0000 . ?
C89B H89B 1.0000 . ?
Cl1 C87 1.749(13) . ?
Cl1B C87B 1.75(2) . ?
Cl2 C87 1.702(16) . ?
Cl2B C87B 1.69(2) . ?
Cl3 C87 1.734(13) . ?
Cl3B C87B 1.72(2) . ?
C87 H87 1.0000 . ?
C87B H87B 1.0000 . ?
Cl4 C88 1.71(3) . ?
Cl4B C88B 1.65(3) . ?
Cl5 Cl6 2.306(15) . ?
Cl5 C88 1.59(3) . ?
Cl5B C88B 1.75(3) . ?
Cl6 C88 1.62(3) . ?
Cl6B C88B 1.63(3) . ?
C88 H88 1.0000 . ?
C88B H88B 1.0000 . ?
F1 C61 1.315(12) . ?
F2 C61 1.304(14) . ?
F3 C61 1.252(14) . ?
F4 C62 1.408(15) . ?
F5 C62 1.234(13) . ?
F6 C62 1.247(11) . ?
F7 C69 1.342(13) . ?
F8 C69 1.308(15) . ?
F9 C69 1.318(12) . ?
F10 C70 1.333(11) . ?
F11 C70 1.332(10) . ?
F12 C70 1.316(11) . ?
F13 C77 1.330(12) . ?
F14 C77 1.324(12) . ?
F15 C77 1.318(10) . ?
F16 C78 1.307(12) . ?
F17 C78 1.328(12) . ?
F18 C78 1.275(13) . ?
F19 C85 1.275(10) . ?
F20 C85 1.285(11) . ?
F21 C85 1.333(11) . ?
F22 C86 1.38(3) . ?
F22B C0AA 1.37(3) . ?
F23 C86 1.33(3) . ?
F23B C0AA 1.35(3) . ?
F24 C86 1.259(19) . ?
F24B C0AA 1.26(2) . ?
C0AA C83 1.502(18) . ?
C55 C56 1.400(10) . ?
C55 C60 1.390(11) . ?
C55 B1 1.618(11) . ?
C56 H56 0.9500 . ?
C56 C57 1.385(11) . ?
C57 C58 1.390(12) . ?
C57 C61 1.495(11) . ?
C58 H58 0.9500 . ?
C58 C59 1.370(12) . ?
C59 C60 1.393(11) . ?
C59 C62 1.500(13) . ?
C60 H60 0.9500 . ?
C63 C64 1.400(11) . ?
C63 C68 1.400(10) . ?
C63 B1 1.644(12) . ?
C64 H64 0.9500 . ?
C64 C65 1.401(12) . ?
C65 C66 1.367(12) . ?
C65 C69 1.497(12) . ?
C66 H66 0.9500 . ?
C66 C67 1.388(12) . ?
C67 C68 1.385(11) . ?
C67 C70 1.503(11) . ?
C68 H68 0.9500 . ?
C71 C72 1.410(11) . ?
C71 C76 1.379(12) . ?
C71 B1 1.657(10) . ?
C72 H72 0.9500 . ?
C72 C73 1.389(11) . ?
C73 C74 1.386(13) . ?
C73 C77 1.498(13) . ?
C74 H74 0.9500 . ?
C74 C75 1.396(13) . ?
C75 C76 1.393(11) . ?
C75 C78 1.468(14) . ?
C76 H76 0.9500 . ?
C79 C80 1.390(11) . ?
C79 C84 1.395(11) . ?
C79 B1 1.641(11) . ?
C80 H80 0.9500 . ?
C80 C81 1.383(10) . ?
C81 C82 1.375(12) . ?
C81 C85 1.496(12) . ?
C82 H82 0.9500 . ?
C82 C83 1.384(13) . ?
C83 C84 1.379(12) . ?
C83 C86 1.506(17) . ?
C84 H84 0.9500 . ?

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
P1 Rh1 P4 158.48(6) . . ?
P2 Rh1 P1 88.18(7) . . ?
P2 Rh1 P4 98.67(7) . . ?
P3 Rh1 P1 98.33(7) . . ?
P3 Rh1 P2 142.83(6) . . ?
P3 Rh1 P4 88.51(7) . . ?
C1 P1 Rh1 122.2(2) . . ?
C7 P1 Rh1 109.5(2) . . ?
C7 P1 C1 100.4(3) . . ?
C7 P1 C13 102.7(3) . . ?
C13 P1 Rh1 118.3(3) . . ?
C13 P1 C1 100.8(3) . . ?
C15 P2 Rh1 111.2(2) . . ?
C16 P2 Rh1 110.5(3) . . ?
C16 P2 C15 97.5(3) . . ?
C22 P2 Rh1 125.9(2) . . ?
C22 P2 C15 102.6(3) . . ?
C22 P2 C16 105.2(3) . . ?
C28 P3 Rh1 125.9(2) . . ?
C28 P3 C39 104.6(3) . . ?
C28 P3 C40 103.0(3) . . ?
C39 P3 Rh1 111.3(3) . . ?
C40 P3 Rh1 110.6(2) . . ?
C40 P3 C39 97.6(3) . . ?
C42 P4 Rh1 117.8(2) . . ?
C42 P4 C43 101.2(3) . . ?
C42 P4 C49 103.5(3) . . ?
C43 P4 Rh1 121.7(2) . . ?
C49 P4 Rh1 109.6(2) . . ?
C49 P4 C43 100.4(3) . . ?
C14 O1 H1 109.5 . . ?
C41 O2 H2 109.5 . . ?
C2 C1 P1 120.9(6) . . ?
C6 C1 P1 119.7(6) . . ?
C6 C1 C2 119.3(7) . . ?
C1 C2 H2A 120.2 . . ?
C1 C2 C3 119.6(9) . . ?
C3 C2 H2A 120.2 . . ?
C2 C3 H3 119.7 . . ?
C4 C3 C2 120.6(10) . . ?
C4 C3 H3 119.7 . . ?
C3 C4 H4 119.7 . . ?
C3 C4 C5 120.6(9) . . ?
C5 C4 H4 119.7 . . ?
C4 C5 H5 120.1 . . ?
C4 C5 C6 119.7(9) . . ?
C6 C5 H5 120.1 . . ?
C1 C6 C5 120.2(9) . . ?
C1 C6 H6 119.9 . . ?
C5 C6 H6 119.9 . . ?
C8 C7 P1 118.9(6) . . ?
C12 C7 P1 123.0(6) . . ?
C12 C7 C8 118.0(7) . . ?
C7 C8 H8 119.9 . . ?
C7 C8 C9 120.3(8) . . ?
C9 C8 H8 119.9 . . ?
C8 C9 H9 119.6 . . ?
C10 C9 C8 120.8(8) . . ?
C10 C9 H9 119.6 . . ?
C9 C10 H10 120.6 . . ?
C9 C10 C11 118.9(8) . . ?
C11 C10 H10 120.6 . . ?
C10 C11 H11 119.9 . . ?
C10 C11 C12 120.2(8) . . ?
C12 C11 H11 119.9 . . ?
C7 C12 C11 121.7(8) . . ?
C7 C12 H12 119.2 . . ?
C11 C12 H12 119.2 . . ?
P1 C13 H13A 108.7 . . ?
P1 C13 H13B 108.7 . . ?
H13A C13 H13B 107.6 . . ?
C14 C13 P1 114.4(5) . . ?
C14 C13 H13A 108.7 . . ?
C14 C13 H13B 108.7 . . ?
O1 C14 C13 108.5(6) . . ?
O1 C14 H14 108.1 . . ?
O1 C14 C15 110.8(6) . . ?
C13 C14 H14 108.1 . . ?
C13 C14 C15 113.1(7) . . ?
C15 C14 H14 108.1 . . ?
P2 C15 H15A 108.0 . . ?
P2 C15 H15B 108.0 . . ?
C14 C15 P2 117.2(5) . . ?
C14 C15 H15A 108.0 . . ?
C14 C15 H15B 108.0 . . ?
H15A C15 H15B 107.2 . . ?
C17 C16 P2 123.2(6) . . ?
C17 C16 C21 119.0(7) . . ?
C21 C16 P2 117.8(6) . . ?
C16 C17 H17 120.3 . . ?
C16 C17 C18 119.3(7) . . ?
C18 C17 H17 120.3 . . ?
C17 C18 H18 119.5 . . ?
C19 C18 C17 121.1(7) . . ?
C19 C18 H18 119.5 . . ?
C18 C19 H19 120.3 . . ?
C20 C19 C18 119.4(8) . . ?
C20 C19 H19 120.3 . . ?
C19 C20 H20 120.1 . . ?
C19 C20 C21 119.9(8) . . ?
C21 C20 H20 120.1 . . ?
C16 C21 H21 119.3 . . ?
C20 C21 C16 121.4(8) . . ?
C20 C21 H21 119.3 . . ?
C23 C22 P2 119.2(6) . . ?
C27 C22 P2 123.9(6) . . ?
C27 C22 C23 116.9(7) . . ?
C22 C23 H23 119.5 . . ?
C24 C23 C22 121.1(8) . . ?
C24 C23 H23 119.5 . . ?
C23 C24 H24 119.3 . . ?
C25 C24 C23 121.4(8) . . ?
C25 C24 H24 119.3 . . ?
C24 C25 H25 120.6 . . ?
C24 C25 C26 118.8(8) . . ?
C26 C25 H25 120.6 . . ?
C25 C26 H26 120.0 . . ?
C27 C26 C25 120.1(7) . . ?
C27 C26 H26 120.0 . . ?
C22 C27 H27 119.1 . . ?
C26 C27 C22 121.8(7) . . ?
C26 C27 H27 119.1 . . ?
C29 C28 P3 122.7(6) . . ?
C33 C28 P3 118.3(6) . . ?
C33 C28 C29 119.0(7) . . ?
C28 C29 H29 120.0 . . ?
C30 C29 C28 120.0(7) . . ?
C30 C29 H29 120.0 . . ?
C29 C30 H30 119.6 . . ?
C29 C30 C31 120.9(8) . . ?
C31 C30 H30 119.6 . . ?
C30 C31 H31 120.0 . . ?
C32 C31 C30 119.9(7) . . ?
C32 C31 H31 120.0 . . ?
C31 C32 H32 120.2 . . ?
C31 C32 C33 119.7(8) . . ?
C33 C32 H32 120.2 . . ?
C28 C33 C32 120.5(8) . . ?
C28 C33 H33 119.8 . . ?
C32 C33 H33 119.8 . . ?
C35 C34 H34 120.4 . . ?
C35 C34 C39 119.2(8) . . ?
C39 C34 H34 120.4 . . ?
C34 C35 H35 119.4 . . ?
C34 C35 C36 121.2(8) . . ?
C36 C35 H35 119.4 . . ?
C35 C36 H36 120.4 . . ?
C37 C36 C35 119.3(7) . . ?
C37 C36 H36 120.4 . . ?
C36 C37 H37 119.9 . . ?
C36 C37 C38 120.3(8) . . ?
C38 C37 H37 119.9 . . ?
C37 C38 H38 119.9 . . ?
C39 C38 C37 120.2(7) . . ?
C39 C38 H38 119.9 . . ?
C34 C39 P3 122.2(6) . . ?
C38 C39 P3 117.8(6) . . ?
C38 C39 C34 119.9(7) . . ?
P3 C40 H40A 108.1 . . ?
P3 C40 H40B 108.1 . . ?
H40A C40 H40B 107.3 . . ?
C41 C40 P3 116.9(5) . . ?
C41 C40 H40A 108.1 . . ?
C41 C40 H40B 108.1 . . ?
O2 C41 C40 109.5(6) . . ?
O2 C41 H41 109.3 . . ?
O2 C41 C42 105.6(6) . . ?
C40 C41 H41 109.3 . . ?
C42 C41 C40 113.7(6) . . ?
C42 C41 H41 109.3 . . ?
P4 C42 H42A 108.9 . . ?
P4 C42 H42B 108.9 . . ?
C41 C42 P4 113.6(5) . . ?
C41 C42 H42A 108.9 . . ?
C41 C42 H42B 108.9 . . ?
H42A C42 H42B 107.7 . . ?
C44 C43 P4 119.9(5) . . ?
C44 C43 C48 118.5(7) . . ?
C48 C43 P4 121.6(6) . . ?
C43 C44 H44 119.5 . . ?
C45 C44 C43 121.0(7) . . ?
C45 C44 H44 119.5 . . ?
C44 C45 H45 119.9 . . ?
C44 C45 C46 120.1(8) . . ?
C46 C45 H45 119.9 . . ?
C45 C46 H46 120.4 . . ?
C47 C46 C45 119.2(8) . . ?
C47 C46 H46 120.4 . . ?
C46 C47 H47 119.6 . . ?
C48 C47 C46 120.9(7) . . ?
C48 C47 H47 119.6 . . ?
C43 C48 H48 119.9 . . ?
C47 C48 C43 120.2(7) . . ?
C47 C48 H48 119.9 . . ?
C50 C49 P4 120.1(6) . . ?
C54 C49 P4 122.1(6) . . ?
C54 C49 C50 117.7(7) . . ?
C49 C50 H50 119.7 . . ?
C49 C50 C51 120.5(7) . . ?
C51 C50 H50 119.7 . . ?
C50 C51 H51 119.9 . . ?
C52 C51 C50 120.2(7) . . ?
C52 C51 H51 119.9 . . ?
C51 C52 H52 119.9 . . ?
C51 C52 C53 120.2(7) . . ?
C53 C52 H52 119.9 . . ?
C52 C53 H53 120.0 . . ?
C52 C53 C54 120.0(8) . . ?
C54 C53 H53 120.0 . . ?
C49 C54 C53 121.3(8) . . ?
C49 C54 H54 119.3 . . ?
C53 C54 H54 119.3 . . ?
Cl7 C89 Cl8 108.1(13) . . ?
Cl7 C89 H89 109.3 . . ?
Cl8 C89 H89 109.3 . . ?
Cl9 C89 Cl7 108.9(12) . . ?
Cl9 C89 Cl8 112.0(14) . . ?
Cl9 C89 H89 109.3 . . ?
Cl7B C89B H89B 111.3 . . ?
Cl8B C89B Cl7B 108(2) . . ?
Cl8B C89B Cl9B 112(2) . . ?
Cl8B C89B H89B 111.3 . . ?
Cl9B C89B Cl7B 102.2(19) . . ?
Cl9B C89B H89B 111.3 . . ?
Cl1 C87 H87 107.9 . . ?
Cl2 C87 Cl1 110.8(7) . . ?
Cl2 C87 Cl3 113.6(9) . . ?
Cl2 C87 H87 107.9 . . ?
Cl3 C87 Cl1 108.5(8) . . ?
Cl3 C87 H87 107.9 . . ?
Cl1B C87B H87B 105.4 . . ?
Cl2B C87B Cl1B 109.0(16) . . ?
Cl2B C87B Cl3B 125(2) . . ?
Cl2B C87B H87B 105.4 . . ?
Cl3B C87B Cl1B 105.3(17) . . ?
Cl3B C87B H87B 105.4 . . ?
C88 Cl5 Cl6 44.5(10) . . ?
C88 Cl6 Cl5 43.7(11) . . ?
Cl4 C88 H88 109.9 . . ?
Cl5 C88 Cl4 118.7(19) . . ?
Cl5 C88 Cl6 91.7(15) . . ?
Cl5 C88 H88 109.9 . . ?
Cl6 C88 Cl4 115.3(19) . . ?
Cl6 C88 H88 109.9 . . ?
Cl4B C88B Cl5B 104.6(19) . . ?
Cl4B C88B H88B 107.3 . . ?
Cl5B C88B H88B 107.3 . . ?
Cl6B C88B Cl4B 114(2) . . ?
Cl6B C88B Cl5B 116(2) . . ?
Cl6B C88B H88B 107.3 . . ?
F22B C0AA C83 109.4(19) . . ?
F23B C0AA F22B 100.0(19) . . ?
F23B C0AA C83 114.0(19) . . ?
F24B C0AA F22B 109(2) . . ?
F24B C0AA F23B 104(2) . . ?
F24B C0AA C83 119(2) . . ?
C56 C55 B1 118.9(7) . . ?
C60 C55 C56 116.3(7) . . ?
C60 C55 B1 124.4(6) . . ?
C55 C56 H56 119.0 . . ?
C57 C56 C55 121.9(8) . . ?
C57 C56 H56 119.0 . . ?
C56 C57 C58 120.7(7) . . ?
C56 C57 C61 120.1(8) . . ?
C58 C57 C61 119.2(8) . . ?
C57 C58 H58 121.0 . . ?
C59 C58 C57 118.1(8) . . ?
C59 C58 H58 121.0 . . ?
C58 C59 C60 121.2(8) . . ?
C58 C59 C62 119.3(8) . . ?
C60 C59 C62 119.5(8) . . ?
C55 C60 C59 121.8(7) . . ?
C55 C60 H60 119.1 . . ?
C59 C60 H60 119.1 . . ?
F1 C61 C57 114.4(8) . . ?
F2 C61 F1 101.3(10) . . ?
F2 C61 C57 113.4(10) . . ?
F3 C61 F1 105.7(11) . . ?
F3 C61 F2 108.9(12) . . ?
F3 C61 C57 112.4(9) . . ?
F4 C62 C59 108.1(10) . . ?
F5 C62 F4 100.7(11) . . ?
F5 C62 F6 113.7(11) . . ?
F5 C62 C59 115.7(9) . . ?
F6 C62 F4 99.8(10) . . ?
F6 C62 C59 116.1(8) . . ?
C64 C63 C68 115.7(7) . . ?
C64 C63 B1 121.8(6) . . ?
C68 C63 B1 122.3(7) . . ?
C63 C64 H64 118.8 . . ?
C63 C64 C65 122.3(7) . . ?
C65 C64 H64 118.8 . . ?
C64 C65 C69 119.5(8) . . ?
C66 C65 C64 120.8(8) . . ?
C66 C65 C69 119.7(9) . . ?
C65 C66 H66 121.1 . . ?
C65 C66 C67 117.7(8) . . ?
C67 C66 H66 121.1 . . ?
C66 C67 C70 120.4(8) . . ?
C68 C67 C66 121.9(7) . . ?
C68 C67 C70 117.6(7) . . ?
C63 C68 H68 119.3 . . ?
C67 C68 C63 121.4(7) . . ?
C67 C68 H68 119.3 . . ?
F7 C69 C65 112.9(9) . . ?
F8 C69 F7 103.2(9) . . ?
F8 C69 F9 108.6(11) . . ?
F8 C69 C65 111.9(10) . . ?
F9 C69 F7 105.5(10) . . ?
F9 C69 C65 114.0(9) . . ?
F10 C70 C67 113.0(8) . . ?
F11 C70 F10 106.1(8) . . ?
F11 C70 C67 112.7(7) . . ?
F12 C70 F10 107.9(7) . . ?
F12 C70 F11 104.6(8) . . ?
F12 C70 C67 112.0(7) . . ?
C72 C71 B1 120.5(7) . . ?
C76 C71 C72 115.5(7) . . ?
C76 C71 B1 123.5(7) . . ?
C71 C72 H72 119.0 . . ?
C73 C72 C71 122.0(8) . . ?
C73 C72 H72 119.0 . . ?
C72 C73 C77 117.9(8) . . ?
C74 C73 C72 120.8(8) . . ?
C74 C73 C77 121.2(8) . . ?
C73 C74 H74 120.8 . . ?
C73 C74 C75 118.4(8) . . ?
C75 C74 H74 120.8 . . ?
C74 C75 C78 120.5(8) . . ?
C76 C75 C74 119.5(8) . . ?
C76 C75 C78 120.0(9) . . ?
C71 C76 C75 123.7(8) . . ?
C71 C76 H76 118.1 . . ?
C75 C76 H76 118.1 . . ?
F13 C77 C73 112.7(7) . . ?
F14 C77 F13 104.8(10) . . ?
F14 C77 C73 113.4(8) . . ?
F15 C77 F13 106.5(9) . . ?
F15 C77 F14 105.5(8) . . ?
F15 C77 C73 113.3(9) . . ?
F16 C78 F17 101.0(9) . . ?
F16 C78 C75 113.1(9) . . ?
F17 C78 C75 113.3(10) . . ?
F18 C78 F16 107.5(12) . . ?
F18 C78 F17 105.9(10) . . ?
F18 C78 C75 114.9(8) . . ?
C80 C79 C84 116.1(7) . . ?
C80 C79 B1 123.2(7) . . ?
C84 C79 B1 120.2(7) . . ?
C79 C80 H80 119.1 . . ?
C81 C80 C79 121.8(7) . . ?
C81 C80 H80 119.1 . . ?
C80 C81 C85 119.8(7) . . ?
C82 C81 C80 121.9(8) . . ?
C82 C81 C85 118.2(7) . . ?
C81 C82 H82 121.7 . . ?
C81 C82 C83 116.6(8) . . ?
C83 C82 H82 121.7 . . ?
C82 C83 C0AA 112.0(13) . . ?
C82 C83 C86 121.6(12) . . ?
C84 C83 C0AA 124.7(13) . . ?
C84 C83 C82 122.2(8) . . ?
C84 C83 C86 115.5(12) . . ?
C79 C84 H84 119.3 . . ?
C83 C84 C79 121.4(8) . . ?
C83 C84 H84 119.3 . . ?
F19 C85 F20 108.9(9) . . ?
F19 C85 F21 105.6(8) . . ?
F19 C85 C81 114.6(7) . . ?
F20 C85 F21 103.5(10) . . ?
F20 C85 C81 111.2(7) . . ?
F21 C85 C81 112.3(8) . . ?
F22 C86 C83 114.7(18) . . ?
F23 C86 F22 98.5(17) . . ?
F23 C86 C83 112.2(18) . . ?
F24 C86 F22 103(2) . . ?
F24 C86 F23 112(2) . . ?
F24 C86 C83 115.0(18) . . ?
C55 B1 C63 104.4(6) . . ?
C55 B1 C71 115.5(7) . . ?
C55 B1 C79 113.3(6) . . ?
C63 B1 C71 111.0(6) . . ?
C79 B1 C63 111.5(6) . . ?
C79 B1 C71 101.4(6) . . ?

_olex2_date_sample_data_collection 2018-10-30
_olex2_exptl_crystal_mounting_method 'mounted in a polyimide loop'
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.183
_oxdiff_exptl_absorpt_empirical_full_min 0.891
# start Validation Reply Form
_vrf_PLAT260_zl-0051             
;
PROBLEM: Large Average Ueq of Residue Including     Cl4   0.163 Check
RESPONSE: Solvent disorder gives rise to larger than average thermal 
parameters for these disordered groups.
;
_vrf_PLAT971_zl-0051             
;
PROBLEM: Check Calcd Resid. Dens.  1.01A   From Rh1      2.19 eA-3
RESPONSE: The large positive difference peak near the metal ion could be 
indicative of deficiencies in the absorption correction or noise 
resulting from the weaker intensities of high angle diffraction data.
;
# end Validation Reply Form
