# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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_ph20001b
_database_code_depnum_ccdc_archive 'CCDC 1985378'
loop_
_audit_author_name
_audit_author_address
'Connor MacNeil'
;University of Lethbridge 
Canada
;
_audit_update_record             
;
2020-02-20 deposited with the CCDC.	2020-09-08 downloaded from the CCDC.
;
_audit_creation_date             2020-01-24
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        1-BArF
_chemical_formula_moiety         'C43 H57 B F6 N3 O P2 Rh, C6 H6'
_chemical_formula_sum            'C49 H63 B F6 N3 O P2 Rh'
_chemical_formula_weight         999.68
_chemical_melting_point          ?
_chemical_oxdiff_formula         C43H55B1F6N3O1P2Rh1
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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'I 1 2/a 1'
_space_group_name_Hall           '-I 2ya'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, z'
'-x+1/2, -y+1/2, -z+1/2'
'x, -y+1/2, z+1/2'

_cell_length_a                   28.3648(5)
_cell_length_b                   12.21300(10)
_cell_length_c                   32.5843(5)
_cell_angle_alpha                90
_cell_angle_beta                 111.394(2)
_cell_angle_gamma                90
_cell_volume                     10510.0(3)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    100312
_cell_measurement_temperature    100.01(10)
_cell_measurement_theta_max      27.4870
_cell_measurement_theta_min      2.5710
_shelx_estimated_absorpt_T_max   0.917
_shelx_estimated_absorpt_T_min   0.777
_exptl_absorpt_coefficient_mu    0.443
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.82688
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.69a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light orange'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.264
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             4160
_exptl_crystal_preparation       'see SI'
_exptl_crystal_recrystallization_method 'see SI'
_exptl_crystal_size_max          0.6
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0490
_diffrn_reflns_av_unetI/netI     0.0155
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       41
_diffrn_reflns_limit_l_min       -41
_diffrn_reflns_number            235608
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.197
_diffrn_reflns_theta_min         2.386
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.01(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 5.8140
_diffrn_detector_type            'Pilatus 200K'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω      7.00  53.00   0.50    7.12    --    2.54-126.00 126.00   92
  2  ω     15.00  64.00   0.50    7.12    --    2.54-144.00 -41.00   98
  3  ω      1.00  67.00   0.50    7.12    --    2.54  38.00 -60.00  132
  4  ω    -59.00  13.00   0.50    7.12    --    2.54 -57.00 120.00  144
  5  ω    -65.00   4.00   0.50    7.12    --    2.54 -19.00   0.00  138
  6  ω     -8.00  64.00   0.50    7.12    --    2.54  57.00 120.00  144
  7  ω    -59.00  13.00   0.50    7.12    --    2.54 -57.00  60.00  144
  8  ω      1.00  70.00   0.50    7.12    --    2.54  19.00-150.00  138
  9  ω     -8.00  64.00   0.50    7.12    --    2.54  57.00  60.00  144
 10  ω    -65.00   4.00   0.50    7.12    --    2.54 -19.00-120.00  138
 11  ω    -30.00  33.00   0.50    7.12    --    4.00 -89.00 -30.91  126
 12  ω    -42.00  17.00   0.50    7.12    --   -5.35 -77.00  90.00  118
 13  ω    -57.00 -29.00   0.50    7.12    --   -5.35 127.00-148.66   56
 14  ω    -59.00 -30.00   0.50    7.12    --   -5.35 130.00  70.49   58
 15  ω    -42.00  17.00   0.50    7.12    --   -5.35 -77.00 -90.00  118
 16  ω    -60.00 -30.00   0.50    7.12    --   -5.35 132.00  -1.36   60
 17  ω    -59.00 -30.00   0.50    7.12    --   -5.35 130.00 -58.01   58
 18  ω    -57.00 -29.00   0.50    7.12    --   -5.35 127.00  97.71   56
 19  ω    -42.00  17.00   0.50    7.12    --   -5.35 -77.00-150.00  118
 20  ω    -57.00 -29.00   0.50    7.12    --   -5.35 127.00 144.83   56
 21  ω    -59.00 -30.00   0.50    7.12    --   -5.35 130.00 -91.70   58
 22  ω    -59.00 -30.00   0.50    7.12    --   -5.35 130.00  27.57   58
 23  ω    -57.00 -29.00   0.50    7.12    --   -5.35 127.00-179.01   56
 24  ω     -2.00  49.00   0.50    7.12    --    4.00-116.00-139.63  102
 25  ω     -2.00  49.00   0.50    7.12    --    4.00-116.00 127.88  102
 26  ω    -55.00 -26.00   0.50    7.12    --   -5.35 124.00  56.28   58
 27  ω    -54.00 -26.00   0.50    7.12    --   -5.35 123.00 133.07   56
 28  ω    -58.00 -30.00   0.50    7.12    --   -5.35 129.00 -20.31   56
 29  ω    -42.00 -11.00   0.50    7.12    --   -5.35 -77.00-180.00   62
 30  ω    -59.00 -30.00   0.50    7.12    --   -5.35 130.00-117.80   58
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  
'SuperNova, Dual, Cu at home/near, Pilatus 200K'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0220353000
_diffrn_orient_matrix_UB_12      0.0039536000
_diffrn_orient_matrix_UB_13      -0.0053700000
_diffrn_orient_matrix_UB_21      0.0152731000
_diffrn_orient_matrix_UB_22      0.0008235000
_diffrn_orient_matrix_UB_23      0.0227571000
_diffrn_orient_matrix_UB_31      0.0017360000
_diffrn_orient_matrix_UB_32      -0.0579085000
_diffrn_orient_matrix_UB_33      -0.0000382000
_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                10810
_reflns_number_total             11658
_reflns_odcompleteness_completeness 99.91
_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.
 
 Structure factors included contributions from the .fab file.
 
 _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 1.171.40.69a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.40.69a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.40.69a (Rigaku OD, 2020)'
_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    ?
_refine_diff_density_max         0.677
_refine_diff_density_min         -0.307
_refine_diff_density_rms         0.054
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     588
_refine_ls_number_reflns         11658
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0285
_refine_ls_R_factor_gt           0.0261
_refine_ls_restrained_S_all      1.035
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0278P)²+18.6213P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0646
_refine_ls_wR_factor_ref         0.0657
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C00N(H00N), C00O(H00O), C00R(H00R), C012(H012), C01B(H01S), C01J(H0AA)
2.b Aromatic/amide H refined with riding coordinates:
 C00E(H00E), C00F(H00F), C00H(H00H), C00K(H00K), C00P(H00P), C00Q(H00Q),
 C00S(H00S), C00W(H00W), C00Z(H00Z), C016(H016), C018(H018), C01C(H01T),
 C01H(H01Z), C01L(H3AA), C01M(H4AA), C01N(H5AA), C01Q(H6AA), C01R(H7AA),
 C01S(H8AA)
2.c Idealised Me refined as rotating group:
 C00V(H00A,H00B,H00C), C00X(H00D,H00G,H00I), C011(H01A,H01B,H01C), C013(H01D,
 H01E,H01F), C014(H01G,H01H,H01I), C015(H01J,H01K,H01L), C017(H01M,H01N,H01O),
 C01A(H01P,H01Q,H01R), C01F(H01W,H01X,H01Y), C01I(H01,H,HA), C01K(H1AA,HB,HC),
 C01O(H2AA,HD,HE)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_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
Rh01 Rh 0.62219(2) 0.37450(2) 0.74276(2) 0.01239(4) Uani 1 1 d . . . . .
P002 P 0.55460(2) 0.66754(3) 0.72057(2) 0.01242(7) Uani 1 1 d . . . . .
P003 P 0.70216(2) 0.41640(3) 0.83890(2) 0.01438(8) Uani 1 1 d . . . . .
F004 F 0.35542(5) 0.44650(12) 0.53234(4) 0.0477(3) Uani 1 1 d . . . . .
F005 F 0.41955(5) 0.05280(10) 0.58301(4) 0.0464(3) Uani 1 1 d . . . . .
F006 F 0.36218(5) 0.54845(11) 0.58795(5) 0.0516(3) Uani 1 1 d . . . . .
N007 N 0.62704(5) 0.52498(10) 0.77704(4) 0.0143(2) Uani 1 1 d . . . . .
O008 O 0.63028(5) 0.17061(10) 0.69667(4) 0.0298(3) Uani 1 1 d . . . . .
N009 N 0.67763(5) 0.32350(10) 0.80214(4) 0.0170(2) Uani 1 1 d . . . . .
F00A F 0.32053(4) 0.39876(12) 0.57748(5) 0.0495(3) Uani 1 1 d . . . . .
F00B F 0.47492(7) 0.03898(10) 0.64762(4) 0.0633(5) Uani 1 1 d . . . . .
N00C N 0.54098(5) 0.57324(10) 0.68206(4) 0.0138(2) Uani 1 1 d . . . . .
F00D F 0.49704(6) 0.07982(10) 0.59321(5) 0.0572(4) Uani 1 1 d . . . . .
C00E C 0.45004(6) 0.43869(13) 0.63271(5) 0.0194(3) Uani 1 1 d . . . . .
H00E H 0.4473 0.5134 0.6368 0.023 Uiso 1 1 calc R . . . .
C00F C 0.77160(6) 0.09803(13) 0.81619(5) 0.0189(3) Uani 1 1 d . . . . .
H00F H 0.8031 0.0878 0.8139 0.023 Uiso 1 1 calc R . . . .
C00G C 0.49522(6) 0.38448(12) 0.65763(5) 0.0172(3) Uani 1 1 d . . . . .
C00H C 0.49751(6) 0.27265(13) 0.64958(5) 0.0196(3) Uani 1 1 d . . . . .
H00H H 0.5269 0.2340 0.6650 0.024 Uiso 1 1 calc R . . . .
C00I C 0.74918(6) 0.01151(12) 0.82988(5) 0.0176(3) Uani 1 1 d . . . . .
C00J C 0.66001(5) 0.52773(12) 0.82011(5) 0.0157(3) Uani 1 1 d . . . . .
C00K C 0.65261(6) 0.62071(12) 0.84192(5) 0.0184(3) Uani 1 1 d . . . . .
H00K H 0.6703 0.6402 0.8711 0.022 Uiso 1 1 calc R . . . .
C00L C 0.54286(6) 0.59735(12) 0.63920(5) 0.0159(3) Uani 1 1 d . . . . .
C00M C 0.62625(6) 0.24906(13) 0.71493(5) 0.0185(3) Uani 1 1 d . . . . .
C00N C 0.49946(5) 0.71480(12) 0.73180(5) 0.0165(3) Uani 1 1 d . . . . .
H00N H 0.5116 0.7648 0.7570 0.020 Uiso 1 1 calc R . . . .
C00O C 0.58303(6) 0.78603(12) 0.70412(5) 0.0181(3) Uani 1 1 d . . . . .
H00O H 0.5605 0.8080 0.6745 0.022 Uiso 1 1 calc R . . . .
C00P C 0.74808(6) 0.19980(12) 0.80575(5) 0.0187(3) Uani 1 1 d . . . . .
H00P H 0.7637 0.2562 0.7963 0.022 Uiso 1 1 calc R . . . .
C00Q C 0.57758(6) 0.54344(13) 0.62514(5) 0.0205(3) Uani 1 1 d . . . . .
H00Q H 0.5984 0.4895 0.6428 0.025 Uiso 1 1 calc R . . . .
C00R C 0.76580(6) 0.45932(12) 0.84359(5) 0.0181(3) Uani 1 1 d . . . . .
H00R H 0.7879 0.3950 0.8521 0.022 Uiso 1 1 calc R . . . .
C00S C 0.61307(6) 0.67846(12) 0.81084(5) 0.0181(3) Uani 1 1 d . . . . .
H00S H 0.5991 0.7441 0.8154 0.022 Uiso 1 1 calc R . . . .
C00T C 0.45649(6) 0.21744(13) 0.61877(5) 0.0220(3) Uani 1 1 d . . . . .
C00U C 0.70113(6) 0.21760(12) 0.80934(5) 0.0163(3) Uani 1 1 d . . . . .
C00V C 0.47301(6) 0.61888(13) 0.74488(5) 0.0208(3) Uani 1 1 d . . . . .
H00A H 0.4605 0.5685 0.7207 0.031 Uiso 1 1 calc GR . . . .
H00B H 0.4452 0.6460 0.7521 0.031 Uiso 1 1 calc GR . . . .
H00C H 0.4967 0.5821 0.7700 0.031 Uiso 1 1 calc GR . . . .
C00W C 0.70093(6) 0.02824(12) 0.83113(5) 0.0205(3) Uani 1 1 d . . . . .
H00W H 0.6845 -0.0294 0.8390 0.025 Uiso 1 1 calc R . . . .
C00X C 0.74874(6) -0.18612(13) 0.80884(6) 0.0242(3) Uani 1 1 d . . . . .
H00D H 0.7161 -0.1996 0.8103 0.036 Uiso 1 1 calc GR . . . .
H00G H 0.7683 -0.2524 0.8155 0.036 Uiso 1 1 calc GR . . . .
H00I H 0.7447 -0.1619 0.7797 0.036 Uiso 1 1 calc GR . . . .
C00Y C 0.59846(5) 0.61850(12) 0.77147(5) 0.0148(3) Uani 1 1 d . . . . .
C00Z C 0.67719(6) 0.12936(12) 0.82089(5) 0.0198(3) Uani 1 1 d . . . . .
H00Z H 0.6450 0.1385 0.8217 0.024 Uiso 1 1 calc R . . . .
C010 C 0.40939(6) 0.38360(14) 0.60214(5) 0.0220(3) Uani 1 1 d . . . . .
C011 C 0.63421(6) 0.75461(14) 0.70162(6) 0.0261(3) Uani 1 1 d . . . . .
H01A H 0.6562 0.7277 0.7298 0.039 Uiso 1 1 calc GR . . . .
H01B H 0.6492 0.8178 0.6938 0.039 Uiso 1 1 calc GR . . . .
H01C H 0.6293 0.6986 0.6798 0.039 Uiso 1 1 calc GR . . . .
C012 C 0.77611(6) -0.09768(13) 0.84225(5) 0.0208(3) Uani 1 1 d . . . . .
H012 H 0.8100 -0.0890 0.8412 0.025 Uiso 1 1 calc R . . . .
C013 C 0.46163(6) 0.77806(14) 0.69321(5) 0.0225(3) Uani 1 1 d . . . . .
H01D H 0.4787 0.8373 0.6851 0.034 Uiso 1 1 calc GR . . . .
H01E H 0.4351 0.8068 0.7018 0.034 Uiso 1 1 calc GR . . . .
H01F H 0.4473 0.7298 0.6685 0.034 Uiso 1 1 calc GR . . . .
C014 C 0.76426(6) 0.49743(13) 0.79828(5) 0.0233(3) Uani 1 1 d . . . . .
H01G H 0.7489 0.4417 0.7768 0.035 Uiso 1 1 calc GR . . . .
H01H H 0.7981 0.5108 0.7995 0.035 Uiso 1 1 calc GR . . . .
H01I H 0.7448 0.5636 0.7901 0.035 Uiso 1 1 calc GR . . . .
C015 C 0.78787(6) 0.54718(14) 0.87908(6) 0.0245(3) Uani 1 1 d . . . . .
H01J H 0.7650 0.6081 0.8733 0.037 Uiso 1 1 calc GR . . . .
H01K H 0.8199 0.5715 0.8786 0.037 Uiso 1 1 calc GR . . . .
H01L H 0.7926 0.5170 0.9075 0.037 Uiso 1 1 calc GR . . . .
C016 C 0.58134(7) 0.56976(14) 0.58494(5) 0.0249(3) Uani 1 1 d . . . . .
H016 H 0.6048 0.5329 0.5761 0.030 Uiso 1 1 calc R . . . .
C017 C 0.74703(6) 0.30022(14) 0.91807(5) 0.0251(3) Uani 1 1 d . . . . .
H01M H 0.7406 0.2330 0.9017 0.038 Uiso 1 1 calc GR . . . .
H01N H 0.7472 0.2866 0.9472 0.038 Uiso 1 1 calc GR . . . .
H01O H 0.7793 0.3290 0.9201 0.038 Uiso 1 1 calc GR . . . .
C018 C 0.41220(6) 0.27164(14) 0.59503(5) 0.0235(3) Uani 1 1 d . . . . .
H018 H 0.3850 0.2345 0.5748 0.028 Uiso 1 1 calc R . . . .
C019 C 0.55115(7) 0.64938(14) 0.55770(5) 0.0251(3) Uani 1 1 d . . . . .
C01A C 0.58920(7) 0.88454(13) 0.73496(6) 0.0259(3) Uani 1 1 d . . . . .
H01P H 0.5571 0.9021 0.7369 0.039 Uiso 1 1 calc GR . . . .
H01Q H 0.6013 0.9464 0.7235 0.039 Uiso 1 1 calc GR . . . .
H01R H 0.6131 0.8667 0.7637 0.039 Uiso 1 1 calc GR . . . .
C01B C 0.70542(6) 0.38329(13) 0.89457(5) 0.0190(3) Uani 1 1 d . . . . .
H01S H 0.7140 0.4512 0.9117 0.023 Uiso 1 1 calc R . . . .
C01C C 0.51056(6) 0.67361(14) 0.61115(5) 0.0231(3) Uani 1 1 d . . . . .
H01T H 0.4858 0.7074 0.6192 0.028 Uiso 1 1 calc R . . . .
C01D C 0.36249(7) 0.44471(17) 0.57529(6) 0.0306(4) Uani 1 1 d . . . . .
B01E B 0.53916(6) 0.45103(13) 0.69514(5) 0.0158(3) Uani 1 1 d . . . . .
C01F C 0.65362(6) 0.34691(15) 0.89412(6) 0.0261(3) Uani 1 1 d . . . . .
H01W H 0.6282 0.3975 0.8769 0.039 Uiso 1 1 calc GR . . . .
H01X H 0.6542 0.3452 0.9237 0.039 Uiso 1 1 calc GR . . . .
H01Y H 0.6460 0.2751 0.8814 0.039 Uiso 1 1 calc GR . . . .
C01G C 0.46217(8) 0.09784(15) 0.61098(6) 0.0296(4) Uani 1 1 d . . . . .
C01H C 0.51505(7) 0.69984(15) 0.57110(5) 0.0278(4) Uani 1 1 d . . . . .
H01Z H 0.4935 0.7520 0.5530 0.033 Uiso 1 1 calc R . . . .
C01I C 0.51287(9) 0.6451(2) 0.47506(6) 0.0436(5) Uani 1 1 d . . . . .
H01 H 0.5098 0.5668 0.4752 0.065 Uiso 1 1 calc GR . . . .
H H 0.5177 0.6677 0.4486 0.065 Uiso 1 1 calc GR . . . .
HA H 0.4826 0.6780 0.4762 0.065 Uiso 1 1 calc GR . . . .
C01J C 0.55776(8) 0.68064(17) 0.51472(6) 0.0323(4) Uani 1 1 d . . . . .
H0AA H 0.5870 0.6392 0.5139 0.039 Uiso 1 1 calc R . . . .
C01K C 0.78267(7) -0.13279(14) 0.88919(6) 0.0295(4) Uani 1 1 d . . . . .
H1AA H 0.7989 -0.0751 0.9094 0.044 Uiso 1 1 calc GR . . . .
HB H 0.8032 -0.1976 0.8969 0.044 Uiso 1 1 calc GR . . . .
HC H 0.7501 -0.1477 0.8906 0.044 Uiso 1 1 calc GR . . . .
C01L C 0.62809(9) 0.2834(2) 0.57763(8) 0.0504(6) Uani 1 1 d . . . . .
H3AA H 0.6368 0.3291 0.6021 0.060 Uiso 1 1 calc R . . . .
C01M C 0.63307(9) 0.3205(2) 0.53941(8) 0.0485(5) Uani 1 1 d . . . . .
H4AA H 0.6448 0.3911 0.5382 0.058 Uiso 1 1 calc R . . . .
C01N C 0.62093(9) 0.2545(2) 0.50374(8) 0.0515(6) Uani 1 1 d . . . . .
H5AA H 0.6243 0.2799 0.4781 0.062 Uiso 1 1 calc R . . . .
C01O C 0.57099(10) 0.7992(2) 0.51456(7) 0.0494(6) Uani 1 1 d . . . . .
H2AA H 0.5426 0.8432 0.5137 0.074 Uiso 1 1 calc GR . . . .
HD H 0.5793 0.8146 0.4891 0.074 Uiso 1 1 calc GR . . . .
HE H 0.5995 0.8159 0.5408 0.074 Uiso 1 1 calc GR . . . .
C01Q C 0.61056(9) 0.1801(2) 0.57992(8) 0.0541(6) Uani 1 1 d . . . . .
H6AA H 0.6070 0.1554 0.6056 0.065 Uiso 1 1 calc R . . . .
C01R C 0.60380(10) 0.1514(2) 0.50520(9) 0.0613(8) Uani 1 1 d . . . . .
H7AA H 0.5958 0.1063 0.4806 0.074 Uiso 1 1 calc R . . . .
C01S C 0.59820(10) 0.1129(2) 0.54315(12) 0.0662(8) Uani 1 1 d . . . . .
H8AA H 0.5862 0.0423 0.5440 0.079 Uiso 1 1 calc R . . . .
H01U H 0.5825(7) 0.4105(16) 0.6953(6) 0.022(5) Uiso 1 1 d . . . . .
H01V H 0.5341(7) 0.4460(15) 0.7272(6) 0.020(5) Uiso 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Rh01 N007 2.1291(12) . ?
Rh01 N009 2.0940(12) . ?
Rh01 C00M 1.8051(16) . ?
Rh01 B01E 2.4823(17) . ?
P002 N00C 1.6420(12) . ?
P002 C00N 1.8248(15) . ?
P002 C00O 1.8296(15) . ?
P002 C00Y 1.7755(15) . ?
P003 N009 1.6120(13) . ?
P003 C00J 1.7660(15) . ?
P003 C00R 1.8317(15) . ?
P003 C01B 1.8277(15) . ?
F004 C01D 1.340(2) . ?
F005 C01G 1.338(2) . ?
F006 C01D 1.334(2) . ?
N007 C00J 1.3740(18) . ?
N007 C00Y 1.3736(18) . ?
O008 C00M 1.155(2) . ?
N009 C00U 1.4346(18) . ?
F00A C01D 1.341(2) . ?
F00B C01G 1.326(2) . ?
N00C C00L 1.4473(18) . ?
N00C B01E 1.558(2) . ?
F00D C01G 1.334(2) . ?
C00E C00G 1.407(2) . ?
C00E C010 1.392(2) . ?
C00F C00I 1.388(2) . ?
C00F C00P 1.393(2) . ?
C00G C00H 1.397(2) . ?
C00G B01E 1.611(2) . ?
C00H C00T 1.402(2) . ?
C00I C00W 1.399(2) . ?
C00I C012 1.516(2) . ?
C00J C00K 1.395(2) . ?
C00K C00S 1.397(2) . ?
C00L C00Q 1.394(2) . ?
C00L C01C 1.390(2) . ?
C00N C00V 1.533(2) . ?
C00N C013 1.531(2) . ?
C00O C011 1.532(2) . ?
C00O C01A 1.536(2) . ?
C00P C00U 1.396(2) . ?
C00Q C016 1.390(2) . ?
C00R C014 1.534(2) . ?
C00R C015 1.534(2) . ?
C00S C00Y 1.402(2) . ?
C00T C018 1.380(2) . ?
C00T C01G 1.501(2) . ?
C00U C00Z 1.397(2) . ?
C00W C00Z 1.388(2) . ?
C00X C012 1.529(2) . ?
C010 C018 1.394(2) . ?
C010 C01D 1.498(2) . ?
C012 C01K 1.533(2) . ?
C016 C019 1.383(3) . ?
C017 C01B 1.533(2) . ?
C019 C01H 1.395(3) . ?
C019 C01J 1.528(2) . ?
C01B C01F 1.530(2) . ?
C01C C01H 1.394(2) . ?
C01I C01J 1.510(3) . ?
C01J C01O 1.496(3) . ?
C01L C01M 1.380(4) . ?
C01L C01Q 1.368(4) . ?
C01M C01N 1.352(3) . ?
C01N C01R 1.357(4) . ?
C01Q C01S 1.388(4) . ?
C01R C01S 1.385(4) . ?

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
N007 Rh01 B01E 82.41(5) . . ?
N009 Rh01 N007 83.62(5) . . ?
N009 Rh01 B01E 155.65(5) . . ?
C00M Rh01 N007 172.95(6) . . ?
C00M Rh01 N009 92.73(6) . . ?
C00M Rh01 B01E 103.03(6) . . ?
N00C P002 C00N 113.28(7) . . ?
N00C P002 C00O 109.68(7) . . ?
N00C P002 C00Y 111.50(6) . . ?
C00N P002 C00O 108.08(7) . . ?
C00Y P002 C00N 106.21(7) . . ?
C00Y P002 C00O 107.87(7) . . ?
N009 P003 C00J 103.31(7) . . ?
N009 P003 C00R 114.12(7) . . ?
N009 P003 C01B 115.70(7) . . ?
C00J P003 C00R 109.30(7) . . ?
C00J P003 C01B 107.28(7) . . ?
C01B P003 C00R 106.79(7) . . ?
C00J N007 Rh01 116.53(9) . . ?
C00Y N007 Rh01 136.58(10) . . ?
C00Y N007 C00J 105.29(12) . . ?
P003 N009 Rh01 116.90(7) . . ?
C00U N009 Rh01 124.53(9) . . ?
C00U N009 P003 117.65(10) . . ?
C00L N00C P002 120.90(10) . . ?
C00L N00C B01E 118.38(12) . . ?
B01E N00C P002 119.00(9) . . ?
C010 C00E C00G 121.86(15) . . ?
C00I C00F C00P 121.52(14) . . ?
C00E C00G B01E 119.33(13) . . ?
C00H C00G C00E 116.53(14) . . ?
C00H C00G B01E 124.02(14) . . ?
C00G C00H C00T 121.43(15) . . ?
C00F C00I C00W 117.77(14) . . ?
C00F C00I C012 120.62(14) . . ?
C00W C00I C012 121.60(14) . . ?
N007 C00J P003 117.24(11) . . ?
N007 C00J C00K 111.54(13) . . ?
C00K C00J P003 131.20(11) . . ?
C00J C00K C00S 105.78(13) . . ?
C00Q C00L N00C 120.02(13) . . ?
C01C C00L N00C 121.57(14) . . ?
C01C C00L C00Q 118.41(14) . . ?
O008 C00M Rh01 177.39(15) . . ?
C00V C00N P002 110.87(10) . . ?
C013 C00N P002 112.95(10) . . ?
C013 C00N C00V 110.26(13) . . ?
C011 C00O P002 110.18(11) . . ?
C011 C00O C01A 110.30(13) . . ?
C01A C00O P002 112.64(11) . . ?
C00F C00P C00U 120.34(14) . . ?
C016 C00Q C00L 120.45(15) . . ?
C014 C00R P003 108.98(11) . . ?
C014 C00R C015 111.96(13) . . ?
C015 C00R P003 112.45(11) . . ?
C00K C00S C00Y 106.89(13) . . ?
C00H C00T C01G 118.48(16) . . ?
C018 C00T C00H 121.25(15) . . ?
C018 C00T C01G 120.25(15) . . ?
C00P C00U N009 121.83(13) . . ?
C00P C00U C00Z 118.36(14) . . ?
C00Z C00U N009 119.80(13) . . ?
C00Z C00W C00I 121.13(14) . . ?
N007 C00Y P002 125.64(11) . . ?
N007 C00Y C00S 110.49(13) . . ?
C00S C00Y P002 123.44(11) . . ?
C00W C00Z C00U 120.69(14) . . ?
C00E C010 C018 120.70(16) . . ?
C00E C010 C01D 120.31(15) . . ?
C018 C010 C01D 118.95(15) . . ?
C00I C012 C00X 110.87(13) . . ?
C00I C012 C01K 112.17(13) . . ?
C00X C012 C01K 110.99(14) . . ?
C019 C016 C00Q 121.66(16) . . ?
C00T C018 C010 118.21(15) . . ?
C016 C019 C01H 117.61(15) . . ?
C016 C019 C01J 120.65(16) . . ?
C01H C019 C01J 121.74(16) . . ?
C017 C01B P003 113.16(11) . . ?
C01F C01B P003 110.73(11) . . ?
C01F C01B C017 111.98(13) . . ?
C00L C01C C01H 120.43(15) . . ?
F004 C01D F00A 105.37(14) . . ?
F004 C01D C010 112.38(15) . . ?
F006 C01D F004 106.99(17) . . ?
F006 C01D F00A 105.96(16) . . ?
F006 C01D C010 113.41(14) . . ?
F00A C01D C010 112.14(16) . . ?
N00C B01E Rh01 114.39(10) . . ?
N00C B01E C00G 111.68(12) . . ?
C00G B01E Rh01 125.39(10) . . ?
F005 C01G C00T 112.90(16) . . ?
F00B C01G F005 105.80(15) . . ?
F00B C01G F00D 107.42(18) . . ?
F00B C01G C00T 112.71(14) . . ?
F00D C01G F005 105.39(15) . . ?
F00D C01G C00T 112.10(15) . . ?
C01C C01H C019 121.31(16) . . ?
C01I C01J C019 111.45(15) . . ?
C01O C01J C019 111.10(16) . . ?
C01O C01J C01I 114.20(18) . . ?
C01Q C01L C01M 120.7(2) . . ?
C01N C01M C01L 120.2(3) . . ?
C01M C01N C01R 120.4(3) . . ?
C01L C01Q C01S 118.7(3) . . ?
C01N C01R C01S 120.4(2) . . ?
C01R C01S C01Q 119.6(3) . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.089 0.065 0.624 28.9 0.0 ?
2 0.089 0.435 0.124 28.9 0.0 ?
3 0.250 0.247 0.500 231.9 41.9 C
4 0.250 0.253 0.000 231.9 41.9 C
5 0.411 0.065 0.376 28.9 0.0 ?
6 0.411 0.435 0.876 28.9 0.0 ?
7 0.589 0.565 0.124 28.9 0.0 ?
8 0.589 0.935 0.624 28.9 0.0 ?
9 0.750 0.747 0.000 231.9 41.9 C
10 0.750 0.753 0.500 231.9 41.9 C
11 0.911 -0.065 0.376 28.9 0.0 ?
12 0.911 0.565 0.876 28.9 0.0 ?


_olex2_exptl_crystal_mounting_method 'MiTiGen loop paratone oil'
_olex2_submission_original_sample_id PH20001b
_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 1.181
_oxdiff_exptl_absorpt_empirical_full_min 0.802
_chemical_properties_physical    Moisture-sensitive
####################################################################### 
# 
# 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_ph20004
_database_code_depnum_ccdc_archive 'CCDC 1985379'
loop_
_audit_author_name
_audit_author_address
'Connor MacNeil'
;University of Lethbridge 
Canada
;
_audit_update_record             
;
2020-02-20 deposited with the CCDC.	2020-09-08 downloaded from the CCDC.
;
_audit_creation_date             2020-02-11
_audit_creation_method           
;
Olex2 1.3-ac4
(compiled 2019.10.09 svn.r3662 for Rigaku Oxford Diffraction, GUI svn.r5959)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        1-BMes
_chemical_formula_moiety         '2(C22 H31.5 B0.5 N1.5 O0.5 P Rh0.5)'
_chemical_formula_sum            'C44 H63 B N3 O P2 Rh'
_chemical_formula_weight         825.63
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C44 H55 B1 N3 O1 P2 Rh1'
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'
N N 0.0311 0.0180 '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                   14.5167(3)
_cell_length_b                   18.5067(4)
_cell_length_c                   19.7008(6)
_cell_angle_alpha                65.627(2)
_cell_angle_beta                 88.777(2)
_cell_angle_gamma                77.349(2)
_cell_volume                     4689.8(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    37909
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      74.6990
_cell_measurement_theta_min      3.6230
_shelx_estimated_absorpt_T_max   0.749
_shelx_estimated_absorpt_T_min   0.393
_exptl_absorpt_coefficient_mu    3.831
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.51688
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.69a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.169
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             1744
_exptl_crystal_preparation       'see SI'
_exptl_crystal_recrystallization_method ?
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0555
_diffrn_reflns_av_unetI/netI     0.0327
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.960
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            87210
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.960
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         75.219
_diffrn_reflns_theta_min         2.791
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 5.8140
_diffrn_detector_type            'Pilatus 200K'
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.960
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -42.00  28.00   0.50    1.51    --  -38.50  38.00 150.00  140
  2  ω    -87.00  -6.00   0.50    1.51    --  -38.50 125.00-120.00  162
  3  ω   -108.00 -33.00   0.50    1.51    --  -38.50 -19.00 150.00  150
  4  ω     41.00 116.00   0.50    1.51    --   47.06  19.00 -30.00  150
  5  ω    -19.00  51.00   0.50    1.51    --   47.06 -38.00   0.00  140
  6  ω     35.00 105.00   0.50    6.05    --  100.13 -45.00 -30.00  140
  7  ω     97.00 169.00   0.50    6.05    --  100.13  30.00   0.00  144
  8  ω     30.00 109.00   0.50    6.05    --  100.13-111.00 -60.00  158
  9  ω     31.00 106.00   0.50    6.05    --  100.13 -95.00 150.00  150
 10  ω     32.00 104.00   0.50    6.05    --  100.13 -30.00 120.00  144
 11  ω     35.00 105.00   0.50    6.05    --  100.13 -45.00 150.00  140
 12  ω     92.00 169.00   0.50    6.05    --  100.13  15.00 -90.00  154
 13  ω     30.00 109.00   0.50    6.05    --  100.13-111.00 150.00  158
 14  ω     31.00 106.00   0.50    6.05    --  100.13 -95.00 -60.00  150
 15  ω     37.00 113.00   0.50    6.05    --  100.13 -61.00   0.00  152
 16  ω     97.00 169.00   0.50    6.05    --  100.13  30.00 -60.00  144
 17  ω     37.00 113.00   0.50    6.05    --  100.13 -61.00 -90.00  152
 18  ω     31.00 108.00   0.50    6.05    --  100.13 -15.00 -30.00  154
 19  ω     97.00 169.00   0.50    6.05    --  100.13  30.00 -30.00  144
 20  ω   -102.00 -27.00   0.50    1.51    --  -38.50 -57.00  90.00  150
 21  ω     35.00 110.00   0.50    1.51    --   47.06  57.00 120.00  150
 22  ω     35.00 110.00   0.50    1.51    --   47.06  57.00  30.00  150
 23  ω     35.00 110.00   0.50    1.51    --   47.06  57.00-150.00  150
 24  ω     87.00 163.00   0.50    6.05    --  100.13  61.00-150.00  152
 25  ω     97.00 168.00   0.50    6.05    --  100.13  33.00  56.00  142
 26  ω     92.00 169.00   0.50    6.05    --  100.13  15.00-180.00  154
 27  ω     87.00 163.00   0.50    6.05    --  100.13  61.00 120.00  152
 28  ω     97.00 169.00   0.50    6.05    --  100.13  30.00 120.00  144
 29  ω     87.00 163.00   0.50    6.05    --  100.13  61.00   0.00  152
 30  ω     97.00 169.00   0.50    6.05    --  100.13  30.00-150.00  144
 31  ω     87.00 163.00   0.50    6.05    --  100.13  61.00 150.00  152
 32  ω     87.00 163.00   0.50    6.05    --  100.13  61.00 -60.00  152
 33  ω     87.00 163.00   0.50    6.05    --  100.13  61.00-120.00  152
 34  ω     87.00 163.00   0.50    6.05    --  100.13  61.00  30.00  152
 35  ω     97.00 169.00   0.50    6.05    --  100.13  30.00  90.00  144
 36  ω     35.00 110.00   0.50    1.51    --   47.06  57.00 -30.00  150
 37  ω     35.00 110.00   0.50    1.51    --   47.06  57.00  60.00  150
 38  ω     35.00 110.00   0.50    1.51    --   47.06  57.00-180.00  150
 39  ω     35.00 110.00   0.50    1.51    --   47.06  57.00 -90.00  150
 40  ω     87.00 155.00   0.50    6.05    --  100.13  61.00 -90.00  136
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  
'SuperNova, Dual, Cu at home/near, Pilatus 200K'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0922484000
_diffrn_orient_matrix_UB_12      -0.0222110000
_diffrn_orient_matrix_UB_13      0.0332793000
_diffrn_orient_matrix_UB_21      -0.0410382000
_diffrn_orient_matrix_UB_22      0.0894756000
_diffrn_orient_matrix_UB_23      -0.0138463000
_diffrn_orient_matrix_UB_31      -0.0413225000
_diffrn_orient_matrix_UB_32      0.0179615000
_diffrn_orient_matrix_UB_33      -0.0782018000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\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                16301
_reflns_number_total             18596
_reflns_odcompleteness_completeness 99.20
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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 1.171.40.69a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.40.69a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.40.69a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 1.3-ac4 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3-ac4 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL 2016/6 (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT n/a (Sheldrick, 2015)'
_refine_diff_density_max         4.145
_refine_diff_density_min         -1.741
_refine_diff_density_rms         0.162
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.080
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     967
_refine_ls_number_reflns         18596
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0837
_refine_ls_R_factor_gt           0.0759
_refine_ls_restrained_S_all      1.080
_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)+(0.1075P)²+31.6491P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2061
_refine_ls_wR_factor_ref         0.2131
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C68(H68), C7(H7), C65(H65), C10(H10), C14(H14), C53(H53), C50(H50), C77(H77),
 C25(H25), C35(H35), C17(H17), C62(H62)
2.b Aromatic/amide H refined with riding coordinates:
 C20(H20), C48(H48), C23(H23), C4(H4), C24(H24), C5(H5), C21(H21), C76(H76),
 C75(H75), C47(H47), C72(H72), C73(H73), C41(H41), C57(H57), C33(H33), C58(H58),
  C82(H82), C32(H32), C60(H60), C39(H39), C61(H61), C30(H30), C84(H84), C29(H29)
2.c Idealised Me refined as rotating group:
 C67(H67A,H67B,H67C), C43(H43A,H43B,H43C), C66(H66A,H66B,H66C), C86(H86A,H86B,
 H86C), C44(H44A,H44B,H44C), C54(H54A,H54B,H54C), C70(H70A,H70B,H70C), C8(H8A,
 H8B,H8C), C9(H9A,H9B,H9C), C27(H27A,H27B,H27C), C69(H69A,H69B,H69C), C52(H52A,
 H52B,H52C), C36(H36A,H36B,H36C), C87(H87A,H87B,H87C), C13(H13A,H13B,H13C),
 C12(H12A,H12B,H12C), C11(H11A,H11B,H11C), C55(H55A,H55B,H55C), C15(H15A,H15B,
 H15C), C18(H18A,H18B,H18C), C51(H51A,H51B,H51C), C16(H16A,H16B,H16C), C79(H79A,
 H79B,H79C), C78(H78A,H78B,H78C), C88(H88A,H88B,H88C), C26(H26A,H26B,H26C),
 C45(H45A,H45B,H45C), C64(H64A,H64B,H64C), C63(H63A,H63B,H63C), C34(H34A,H34B,
 H34C)
;
_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
Rh2 Rh 0.76009(3) 0.56766(2) 0.42886(2) 0.01904(11) Uani 1 1 d . . . . .
Rh1 Rh 0.74586(3) 0.43132(2) 0.98166(2) 0.01942(11) Uani 1 1 d . . . . .
P3 P 0.78458(9) 0.44674(8) 0.63183(7) 0.0194(3) Uani 1 1 d . . . . .
P1 P 0.71145(9) 0.55262(8) 1.09083(7) 0.0193(3) Uani 1 1 d . . . . .
P2 P 0.83981(9) 0.25001(8) 1.10804(8) 0.0211(3) Uani 1 1 d . . . . .
P4 P 0.67640(9) 0.75124(8) 0.41633(7) 0.0208(3) Uani 1 1 d . . . . .
O2 O 0.8275(3) 0.5200(3) 0.3069(2) 0.0325(9) Uani 1 1 d . . . . .
N2 N 0.7878(3) 0.4054(3) 1.0905(2) 0.0192(8) Uani 1 1 d . . . . .
O1 O 0.6738(3) 0.4781(3) 0.8266(2) 0.0320(9) Uani 1 1 d . . . . .
N4 N 0.7839(3) 0.4050(3) 0.5719(2) 0.0200(9) Uani 1 1 d . . . . .
N5 N 0.7194(3) 0.5957(3) 0.5180(2) 0.0186(8) Uani 1 1 d . . . . .
N1 N 0.7148(3) 0.5951(3) 0.9985(2) 0.0197(9) Uani 1 1 d . . . . .
N3 N 0.7764(3) 0.2935(3) 1.0310(2) 0.0214(9) Uani 1 1 d . . . . .
N6 N 0.7371(3) 0.7053(3) 0.3721(2) 0.0218(9) Uani 1 1 d . . . . .
C19 C 0.6789(4) 0.6828(3) 0.9629(3) 0.0195(10) Uani 1 1 d . . . . .
C20 C 0.7397(4) 0.7349(3) 0.9303(3) 0.0242(11) Uani 1 1 d . . . . .
H20 H 0.804783 0.713733 0.935106 0.029 Uiso 1 1 calc R U . . .
C6 C 0.8322(3) 0.3288(3) 1.1387(3) 0.0201(10) Uani 1 1 d . . . . .
C49 C 0.7173(4) 0.5483(3) 0.5925(3) 0.0205(10) Uani 1 1 d . . . . .
C48 C 0.6783(4) 0.5963(3) 0.6302(3) 0.0234(11) Uani 1 1 d . . . . .
H48 H 0.670863 0.578536 0.681094 0.028 Uiso 1 1 calc R U . . .
C23 C 0.5469(4) 0.7992(3) 0.9175(3) 0.0254(11) Uani 1 1 d . . . . .
H23 H 0.482107 0.820355 0.914603 0.030 Uiso 1 1 calc R U . . .
C71 C 0.8101(4) 0.3167(3) 0.6061(3) 0.0220(10) Uani 1 1 d . . . . .
C3 C 0.7836(4) 0.4526(3) 1.1287(3) 0.0214(10) Uani 1 1 d . . . . .
C37 C 0.7581(4) 0.6097(3) 0.8667(3) 0.0228(11) Uani 1 1 d . . . . .
C42 C 0.6880(4) 0.6606(3) 0.8074(3) 0.0263(11) Uani 1 1 d . . . . .
C68 C 0.9047(4) 0.4473(3) 0.6564(3) 0.0241(11) Uani 1 1 d . . . . .
H68 H 0.940720 0.390547 0.680383 0.029 Uiso 1 1 calc R U . . .
C4 C 0.8240(4) 0.4063(3) 1.2021(3) 0.0230(11) Uani 1 1 d . . . . .
H4 H 0.829038 0.424758 1.238896 0.028 Uiso 1 1 calc R U . . .
C24 C 0.5829(4) 0.7165(3) 0.9561(3) 0.0231(11) Uani 1 1 d . . . . .
H24 H 0.541766 0.682767 0.978144 0.028 Uiso 1 1 calc R U . . .
C5 C 0.8551(4) 0.3272(3) 1.2084(3) 0.0235(11) Uani 1 1 d . . . . .
H5 H 0.885144 0.281816 1.250532 0.028 Uiso 1 1 calc R U . . .
C7 C 0.5920(4) 0.5470(3) 1.1189(3) 0.0246(11) Uani 1 1 d . . . . .
H7 H 0.553591 0.602851 1.101409 0.029 Uiso 1 1 calc R U . . .
C65 C 0.7316(4) 0.3963(3) 0.7176(3) 0.0234(11) Uani 1 1 d . . . . .
H65 H 0.727143 0.431951 0.743637 0.028 Uiso 1 1 calc R U . . .
C10 C 0.7580(4) 0.6059(4) 1.1366(3) 0.0254(11) Uani 1 1 d . . . . .
H10 H 0.764981 0.569441 1.189946 0.030 Uiso 1 1 calc R U . . .
C46 C 0.6790(4) 0.6738(3) 0.5077(3) 0.0231(11) Uani 1 1 d . . . . .
C21 C 0.7036(4) 0.8169(3) 0.8912(3) 0.0268(11) Uani 1 1 d . . . . .
H21 H 0.744934 0.850648 0.869767 0.032 Uiso 1 1 calc R U . . .
C14 C 0.9653(4) 0.2091(3) 1.1021(4) 0.0285(12) Uani 1 1 d . . . . .
H14 H 0.970934 0.158079 1.096579 0.034 Uiso 1 1 calc R U . . .
C76 C 0.7402(4) 0.2716(4) 0.6138(3) 0.0257(11) Uani 1 1 d . . . . .
H76 H 0.677822 0.298910 0.596087 0.031 Uiso 1 1 calc R U . . .
C80 C 0.7445(4) 0.3904(3) 0.4525(3) 0.0220(10) Uani 1 1 d . . . . .
C81 C 0.8147(4) 0.3388(3) 0.4319(3) 0.0263(11) Uani 1 1 d . . . . .
C75 C 0.7639(4) 0.1883(3) 0.6470(3) 0.0274(12) Uani 1 1 d . . . . .
H75 H 0.716875 0.159962 0.651604 0.033 Uiso 1 1 calc R U . . .
C47 C 0.6531(4) 0.6761(3) 0.5755(3) 0.0252(11) Uani 1 1 d . . . . .
H47 H 0.624482 0.722166 0.582836 0.030 Uiso 1 1 calc R U . . .
C72 C 0.9033(4) 0.2737(3) 0.6310(3) 0.0259(11) Uani 1 1 d . . . . .
H72 H 0.950667 0.302099 0.624561 0.031 Uiso 1 1 calc R U . . .
C85 C 0.6485(4) 0.3923(3) 0.4381(3) 0.0258(11) Uani 1 1 d . . . . .
C38 C 0.8540(4) 0.6092(3) 0.8531(3) 0.0238(11) Uani 1 1 d . . . . .
B1 B 0.7352(4) 0.5529(3) 0.9473(3) 0.0171(11) Uani 1 1 d . . . . .
B2 B 0.7660(4) 0.4475(3) 0.4884(4) 0.0220(12) Uani 1 1 d . . . . .
C67 C 0.6290(4) 0.3928(4) 0.7049(3) 0.0294(12) Uani 1 1 d . . . . .
H67A H 0.593285 0.446160 0.672447 0.044 Uiso 1 1 calc R U . . .
H67B H 0.601231 0.374339 0.752002 0.044 Uiso 1 1 calc R U . . .
H67C H 0.628285 0.355726 0.682452 0.044 Uiso 1 1 calc R U . . .
C73 C 0.9264(4) 0.1892(3) 0.6654(3) 0.0285(12) Uani 1 1 d . . . . .
H73 H 0.988845 0.161809 0.682692 0.034 Uiso 1 1 calc R U . . .
C41 C 0.7164(5) 0.7098(4) 0.7383(3) 0.0328(13) Uani 1 1 d . . . . .
H41 H 0.670192 0.744005 0.699899 0.039 Uiso 1 1 calc R U . . .
C43 C 0.5849(4) 0.6612(4) 0.8162(3) 0.0291(12) Uani 1 1 d . . . . .
H43A H 0.562588 0.641135 0.783309 0.044 Uiso 1 1 calc R U . . .
H43B H 0.549627 0.715854 0.803893 0.044 Uiso 1 1 calc R U . . .
H43C H 0.576694 0.626883 0.866931 0.044 Uiso 1 1 calc R U . . .
C53 C 0.7252(4) 0.8291(4) 0.4274(3) 0.0290(12) Uani 1 1 d . . . . .
H53 H 0.697210 0.837293 0.470105 0.035 Uiso 1 1 calc R U . . .
C66 C 0.7900(4) 0.3129(4) 0.7733(3) 0.0286(12) Uani 1 1 d . . . . .
H66A H 0.788907 0.272560 0.754668 0.043 Uiso 1 1 calc R U . . .
H66B H 0.763297 0.297766 0.820789 0.043 Uiso 1 1 calc R U . . .
H66C H 0.854228 0.316276 0.778956 0.043 Uiso 1 1 calc R U . . .
C57 C 0.8632(4) 0.7137(4) 0.2884(3) 0.0285(12) Uani 1 1 d . . . . .
H57 H 0.900242 0.667821 0.326531 0.034 Uiso 1 1 calc R U . . .
C86 C 0.5706(4) 0.4476(4) 0.4577(4) 0.0330(13) Uani 1 1 d . . . . .
H86A H 0.578597 0.434902 0.509937 0.050 Uiso 1 1 calc R U . . .
H86B H 0.510305 0.439762 0.446836 0.050 Uiso 1 1 calc R U . . .
H86C H 0.573281 0.503320 0.428769 0.050 Uiso 1 1 calc R U . . .
C28 C 0.7442(4) 0.2505(3) 0.9953(3) 0.0243(11) Uani 1 1 d . . . . .
C74 C 0.8573(4) 0.1442(3) 0.6744(3) 0.0284(12) Uani 1 1 d . . . . .
C22 C 0.6063(4) 0.8515(3) 0.8826(3) 0.0264(11) Uani 1 1 d . . . . .
C33 C 0.6520(4) 0.2772(3) 0.9633(3) 0.0260(11) Uani 1 1 d . . . . .
H33 H 0.613943 0.324196 0.964235 0.031 Uiso 1 1 calc R U . . .
C56 C 0.7711(4) 0.7451(3) 0.3012(3) 0.0223(10) Uani 1 1 d . . . . .
C2 C 0.7974(4) 0.5395(3) 0.3538(3) 0.0251(11) Uani 1 1 d . . . . .
C59 C 0.8495(4) 0.8184(4) 0.1617(3) 0.0307(12) Uani 1 1 d . . . . .
C40 C 0.8099(5) 0.7094(4) 0.7252(4) 0.0373(14) Uani 1 1 d . . . . .
C44 C 0.9307(4) 0.5557(4) 0.9145(4) 0.0322(13) Uani 1 1 d . . . . .
H44A H 0.919285 0.567983 0.957127 0.048 Uiso 1 1 calc R U . . .
H44B H 0.991079 0.565378 0.897140 0.048 Uiso 1 1 calc R U . . .
H44C H 0.930776 0.499469 0.928257 0.048 Uiso 1 1 calc R U . . .
C58 C 0.9007(4) 0.7492(4) 0.2202(3) 0.0305(12) Uani 1 1 d . . . . .
H58 H 0.961841 0.725957 0.213640 0.037 Uiso 1 1 calc R U . . .
C54 C 0.8323(5) 0.7955(4) 0.4477(4) 0.0376(14) Uani 1 1 d . . . . .
H54A H 0.843693 0.742576 0.488735 0.056 Uiso 1 1 calc R U . . .
H54B H 0.857390 0.831678 0.461869 0.056 Uiso 1 1 calc R U . . .
H54C H 0.862810 0.791398 0.405345 0.056 Uiso 1 1 calc R U . . .
C70 C 0.9513(4) 0.4904(4) 0.5850(3) 0.0328(13) Uani 1 1 d . . . . .
H70A H 0.943777 0.467771 0.550041 0.049 Uiso 1 1 calc R U . . .
H70B H 1.017549 0.482792 0.596825 0.049 Uiso 1 1 calc R U . . .
H70C H 0.921905 0.547555 0.563269 0.049 Uiso 1 1 calc R U . . .
C82 C 0.7886(5) 0.2909(4) 0.3993(4) 0.0343(14) Uani 1 1 d . . . . .
H82 H 0.835659 0.256626 0.386600 0.041 Uiso 1 1 calc R U . . .
C8 C 0.5894(4) 0.5055(4) 1.2039(3) 0.0352(14) Uani 1 1 d . . . . .
H8A H 0.629581 0.451610 1.222786 0.053 Uiso 1 1 calc R U . . .
H8B H 0.525637 0.502139 1.216121 0.053 Uiso 1 1 calc R U . . .
H8C H 0.611288 0.536736 1.226101 0.053 Uiso 1 1 calc R U . . .
C50 C 0.5518(4) 0.7963(4) 0.3815(3) 0.0274(12) Uani 1 1 d . . . . .
H50 H 0.549190 0.841852 0.332537 0.033 Uiso 1 1 calc R U . . .
C31 C 0.6692(5) 0.1651(4) 0.9269(3) 0.0310(13) Uani 1 1 d . . . . .
C32 C 0.6146(4) 0.2357(4) 0.9297(3) 0.0301(12) Uani 1 1 d . . . . .
H32 H 0.552341 0.255355 0.908903 0.036 Uiso 1 1 calc R U . . .
C9 C 0.5493(4) 0.5037(4) 1.0802(4) 0.0314(13) Uani 1 1 d . . . . .
H9A H 0.553203 0.530375 1.027208 0.047 Uiso 1 1 calc R U . . .
H9B H 0.484174 0.505684 1.090815 0.047 Uiso 1 1 calc R U . . .
H9C H 0.583781 0.447869 1.098393 0.047 Uiso 1 1 calc R U . . .
C27 C 0.4637(5) 0.9736(4) 0.8337(4) 0.0387(15) Uani 1 1 d . . . . .
H27A H 0.446665 1.031139 0.802941 0.058 Uiso 1 1 calc R U . . .
H27B H 0.449200 0.963401 0.884106 0.058 Uiso 1 1 calc R U . . .
H27C H 0.428769 0.946305 0.814963 0.058 Uiso 1 1 calc R U . . .
C60 C 0.7565(5) 0.8496(4) 0.1738(3) 0.0349(14) Uani 1 1 d . . . . .
H60 H 0.719739 0.895585 0.135585 0.042 Uiso 1 1 calc R U . . .
C1 C 0.7045(4) 0.4593(3) 0.8863(3) 0.0231(11) Uani 1 1 d . . . . .
C69 C 0.9075(5) 0.4855(4) 0.7119(4) 0.0360(14) Uani 1 1 d . . . . .
H69A H 0.869976 0.540464 0.690740 0.054 Uiso 1 1 calc R U . . .
H69B H 0.971716 0.485724 0.722242 0.054 Uiso 1 1 calc R U . . .
H69C H 0.882455 0.454282 0.757455 0.054 Uiso 1 1 calc R U . . .
C52 C 0.4934(4) 0.8288(4) 0.4325(4) 0.0375(15) Uani 1 1 d . . . . .
H52A H 0.430687 0.856405 0.409092 0.056 Uiso 1 1 calc R U . . .
H52B H 0.522855 0.866238 0.441076 0.056 Uiso 1 1 calc R U . . .
H52C H 0.489899 0.784250 0.479267 0.056 Uiso 1 1 calc R U . . .
C36 C 0.5921(5) 0.1665(4) 0.8131(4) 0.0397(15) Uani 1 1 d . . . . .
H36A H 0.541828 0.212001 0.808701 0.060 Uiso 1 1 calc R U . . .
H36B H 0.568993 0.133132 0.794119 0.060 Uiso 1 1 calc R U . . .
H36C H 0.643126 0.186049 0.784996 0.060 Uiso 1 1 calc R U . . .
C39 C 0.8790(4) 0.6579(4) 0.7831(3) 0.0301(12) Uani 1 1 d . . . . .
H39 H 0.942581 0.655943 0.774831 0.036 Uiso 1 1 calc R U . . .
C87 C 0.9181(4) 0.3360(4) 0.4427(4) 0.0331(13) Uani 1 1 d . . . . .
H87A H 0.943820 0.356091 0.394838 0.050 Uiso 1 1 calc R U . . .
H87B H 0.951589 0.280739 0.472015 0.050 Uiso 1 1 calc R U . . .
H87C H 0.924909 0.369271 0.468021 0.050 Uiso 1 1 calc R U . . .
C13 C 1.0255(5) 0.1907(4) 1.1723(4) 0.0412(16) Uani 1 1 d . . . . .
H13A H 1.021678 0.240195 1.178223 0.062 Uiso 1 1 calc R U . . .
H13B H 1.090126 0.167840 1.167812 0.062 Uiso 1 1 calc R U . . .
H13C H 1.002443 0.152476 1.215079 0.062 Uiso 1 1 calc R U . . .
C61 C 0.7179(5) 0.8136(3) 0.2415(3) 0.0315(13) Uani 1 1 d . . . . .
H61 H 0.655727 0.835382 0.247325 0.038 Uiso 1 1 calc R U . . .
C12 C 0.6921(5) 0.6866(4) 1.1303(4) 0.0333(13) Uani 1 1 d . . . . .
H12A H 0.690531 0.727935 1.080471 0.050 Uiso 1 1 calc R U . . .
H12B H 0.715454 0.703392 1.165303 0.050 Uiso 1 1 calc R U . . .
H12C H 0.629322 0.678653 1.141068 0.050 Uiso 1 1 calc R U . . .
C11 C 0.8572(4) 0.6163(4) 1.1158(4) 0.0317(13) Uani 1 1 d . . . . .
H11A H 0.897241 0.564451 1.123427 0.048 Uiso 1 1 calc R U . . .
H11B H 0.882182 0.637407 1.146681 0.048 Uiso 1 1 calc R U . . .
H11C H 0.854807 0.653585 1.064273 0.048 Uiso 1 1 calc R U . . .
C83 C 0.6944(5) 0.2934(4) 0.3855(4) 0.0386(15) Uani 1 1 d . . . . .
C30 C 0.7633(5) 0.1405(4) 0.9550(4) 0.0351(14) Uani 1 1 d . . . . .
H30 H 0.802117 0.095154 0.951513 0.042 Uiso 1 1 calc R U . . .
C55 C 0.7035(6) 0.9125(4) 0.3597(4) 0.0412(16) Uani 1 1 d . . . . .
H55A H 0.728860 0.906344 0.316483 0.062 Uiso 1 1 calc R U . . .
H55B H 0.731801 0.949611 0.369805 0.062 Uiso 1 1 calc R U . . .
H55C H 0.636165 0.933474 0.350572 0.062 Uiso 1 1 calc R U . . .
C84 C 0.6251(5) 0.3444(4) 0.4051(3) 0.0339(13) Uani 1 1 d . . . . .
H84 H 0.561727 0.346610 0.396061 0.041 Uiso 1 1 calc R U . . .
C29 C 0.8009(4) 0.1821(3) 0.9885(3) 0.0298(12) Uani 1 1 d . . . . .
H29 H 0.864224 0.164475 1.006541 0.036 Uiso 1 1 calc R U . . .
C77 C 0.8810(5) 0.0528(4) 0.7141(4) 0.0329(13) Uani 1 1 d . . . . .
H77 H 0.950113 0.033987 0.722190 0.040 Uiso 1 1 calc R U . . .
C25 C 0.5697(4) 0.9415(4) 0.8321(4) 0.0326(13) Uani 1 1 d . . . . .
H25 H 0.603584 0.972522 0.848473 0.039 Uiso 1 1 calc R U . . .
C35 C 0.6271(6) 0.1169(4) 0.8941(4) 0.0378(15) Uani 1 1 d . . . . .
H35 H 0.677799 0.070902 0.896634 0.045 Uiso 1 1 calc R U . . .
C15 C 0.9997(5) 0.2700(4) 1.0320(4) 0.0392(15) Uani 1 1 d . . . . .
H15A H 0.959176 0.281801 0.988998 0.059 Uiso 1 1 calc R U . . .
H15B H 1.063371 0.246725 1.025508 0.059 Uiso 1 1 calc R U . . .
H15C H 0.998006 0.319363 1.037514 0.059 Uiso 1 1 calc R U . . .
C17 C 0.7969(5) 0.1692(4) 1.1835(3) 0.0323(13) Uani 1 1 d . . . . .
H17 H 0.824217 0.164575 1.230547 0.039 Uiso 1 1 calc R U . . .
C18 C 0.6896(5) 0.1976(5) 1.1827(4) 0.0396(15) Uani 1 1 d . . . . .
H18A H 0.674312 0.252400 1.178804 0.059 Uiso 1 1 calc R U . . .
H18B H 0.667955 0.162345 1.228156 0.059 Uiso 1 1 calc R U . . .
H18C H 0.659328 0.195849 1.140779 0.059 Uiso 1 1 calc R U . . .
C51 C 0.5121(4) 0.7311(4) 0.3706(4) 0.0373(14) Uani 1 1 d . . . . .
H51A H 0.509722 0.687590 0.418429 0.056 Uiso 1 1 calc R U . . .
H51B H 0.552257 0.710083 0.340475 0.056 Uiso 1 1 calc R U . . .
H51C H 0.449421 0.754959 0.346168 0.056 Uiso 1 1 calc R U . . .
C16 C 0.8259(6) 0.0836(4) 1.1838(4) 0.0439(17) Uani 1 1 d . . . . .
H16A H 0.795734 0.084183 1.140690 0.066 Uiso 1 1 calc R U . . .
H16B H 0.806615 0.044695 1.228291 0.066 Uiso 1 1 calc R U . . .
H16C H 0.893391 0.068827 1.182791 0.066 Uiso 1 1 calc R U . . .
C79 C 0.8458(6) 0.0132(4) 0.6680(4) 0.0432(16) Uani 1 1 d . . . . .
H79A H 0.866675 -0.045027 0.693458 0.065 Uiso 1 1 calc R U . . .
H79B H 0.870789 0.031669 0.619795 0.065 Uiso 1 1 calc R U . . .
H79C H 0.777856 0.028151 0.661872 0.065 Uiso 1 1 calc R U . . .
C78 C 0.8401(6) 0.0257(4) 0.7907(4) 0.0458(17) Uani 1 1 d . . . . .
H78A H 0.772215 0.042389 0.784086 0.069 Uiso 1 1 calc R U . . .
H78B H 0.863352 0.050423 0.819085 0.069 Uiso 1 1 calc R U . . .
H78C H 0.859006 -0.032525 0.816968 0.069 Uiso 1 1 calc R U . . .
C88 C 0.6681(8) 0.2422(6) 0.3486(5) 0.065(2) Uani 1 1 d . . . . .
H88A H 0.676857 0.266526 0.296168 0.097 Uiso 1 1 calc R U . . .
H88B H 0.603041 0.239586 0.355362 0.097 Uiso 1 1 calc R U . . .
H88C H 0.707793 0.188137 0.371006 0.097 Uiso 1 1 calc R U . . .
C26 C 0.5906(6) 0.9587(5) 0.7512(4) 0.052(2) Uani 1 1 d . . . . .
H26A H 0.558340 0.928694 0.733906 0.079 Uiso 1 1 calc R U . . .
H26B H 0.657553 0.942282 0.748586 0.079 Uiso 1 1 calc R U . . .
H26C H 0.569030 1.015979 0.720403 0.079 Uiso 1 1 calc R U . . .
C62 C 0.8950(5) 0.8569(4) 0.0892(4) 0.0412(15) Uani 1 1 d . . . . .
H62 H 0.942810 0.813145 0.084352 0.049 Uiso 1 1 calc R U . . .
C45 C 0.8382(7) 0.7625(6) 0.6498(4) 0.060(2) Uani 1 1 d . . . . .
H45A H 0.855721 0.808431 0.652566 0.090 Uiso 1 1 calc R U . . .
H45B H 0.785895 0.781473 0.613065 0.090 Uiso 1 1 calc R U . . .
H45C H 0.891090 0.731467 0.635930 0.090 Uiso 1 1 calc R U . . .
C64 C 0.8263(6) 0.8944(5) 0.0205(4) 0.052(2) Uani 1 1 d . . . . .
H64A H 0.793610 0.854726 0.020056 0.079 Uiso 1 1 calc R U . . .
H64B H 0.860407 0.911793 -0.023533 0.079 Uiso 1 1 calc R U . . .
H64C H 0.781237 0.940482 0.021259 0.079 Uiso 1 1 calc R U . . .
C63 C 0.9470(7) 0.9182(6) 0.0938(5) 0.064(2) Uani 1 1 d . . . . .
H63A H 0.902431 0.961665 0.099489 0.097 Uiso 1 1 calc R U . . .
H63B H 0.978274 0.940115 0.048808 0.097 Uiso 1 1 calc R U . . .
H63C H 0.993157 0.891513 0.135919 0.097 Uiso 1 1 calc R U . . .
C34 C 0.5500(9) 0.0815(7) 0.9413(6) 0.086(4) Uani 1 1 d . . . . .
H34A H 0.575532 0.048824 0.992101 0.129 Uiso 1 1 calc R U . . .
H34B H 0.527107 0.048252 0.922014 0.129 Uiso 1 1 calc R U . . .
H34C H 0.498739 0.125067 0.939684 0.129 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Rh2 N5 2.068(4) . ?
Rh2 N6 2.268(4) . ?
Rh2 B2 2.024(6) . ?
Rh2 C2 1.797(6) . ?
Rh1 N2 2.068(4) . ?
Rh1 N3 2.263(4) . ?
Rh1 B1 2.034(5) . ?
Rh1 C1 1.807(6) . ?
P3 N4 1.658(5) . ?
P3 C49 1.764(5) . ?
P3 C68 1.824(5) . ?
P3 C65 1.810(5) . ?
P1 N1 1.663(5) . ?
P1 C3 1.768(5) . ?
P1 C7 1.820(5) . ?
P1 C10 1.813(6) . ?
P2 N3 1.589(5) . ?
P2 C6 1.777(5) . ?
P2 C14 1.834(6) . ?
P2 C17 1.835(6) . ?
P4 N6 1.584(4) . ?
P4 C46 1.774(6) . ?
P4 C53 1.827(6) . ?
P4 C50 1.833(6) . ?
O2 C2 1.168(7) . ?
N2 C6 1.358(7) . ?
N2 C3 1.361(7) . ?
O1 C1 1.150(7) . ?
N4 C71 1.450(7) . ?
N4 B2 1.501(8) . ?
N5 C49 1.368(7) . ?
N5 C46 1.365(7) . ?
N1 C19 1.450(7) . ?
N1 B1 1.500(7) . ?
N3 C28 1.409(7) . ?
N6 C56 1.420(7) . ?
C19 C20 1.399(7) . ?
C19 C24 1.381(7) . ?
C20 H20 0.9300 . ?
C20 C21 1.370(8) . ?
C6 C5 1.404(8) . ?
C49 C48 1.403(7) . ?
C48 H48 0.9300 . ?
C48 C47 1.394(8) . ?
C23 H23 0.9300 . ?
C23 C24 1.377(8) . ?
C23 C22 1.394(8) . ?
C71 C76 1.416(8) . ?
C71 C72 1.392(7) . ?
C3 C4 1.400(7) . ?
C37 C42 1.419(8) . ?
C37 C38 1.410(8) . ?
C37 B1 1.578(8) . ?
C42 C41 1.402(8) . ?
C42 C43 1.501(8) . ?
C68 H68 0.9800 . ?
C68 C70 1.530(8) . ?
C68 C69 1.533(8) . ?
C4 H4 0.9300 . ?
C4 C5 1.389(8) . ?
C24 H24 0.9300 . ?
C5 H5 0.9300 . ?
C7 H7 0.9800 . ?
C7 C8 1.531(8) . ?
C7 C9 1.533(8) . ?
C65 H65 0.9800 . ?
C65 C67 1.535(8) . ?
C65 C66 1.541(8) . ?
C10 H10 0.9800 . ?
C10 C12 1.546(8) . ?
C10 C11 1.520(8) . ?
C46 C47 1.395(8) . ?
C21 H21 0.9300 . ?
C21 C22 1.398(8) . ?
C14 H14 0.9800 . ?
C14 C13 1.525(9) . ?
C14 C15 1.536(9) . ?
C76 H76 0.9300 . ?
C76 C75 1.367(8) . ?
C80 C81 1.412(7) . ?
C80 C85 1.418(8) . ?
C80 B2 1.575(8) . ?
C81 C82 1.403(8) . ?
C81 C87 1.508(8) . ?
C75 H75 0.9300 . ?
C75 C74 1.407(8) . ?
C47 H47 0.9300 . ?
C72 H72 0.9300 . ?
C72 C73 1.388(8) . ?
C85 C86 1.509(8) . ?
C85 C84 1.393(8) . ?
C38 C44 1.508(8) . ?
C38 C39 1.393(8) . ?
C67 H67A 0.9600 . ?
C67 H67B 0.9600 . ?
C67 H67C 0.9600 . ?
C73 H73 0.9300 . ?
C73 C74 1.402(8) . ?
C41 H41 0.9300 . ?
C41 C40 1.375(9) . ?
C43 H43A 0.9600 . ?
C43 H43B 0.9600 . ?
C43 H43C 0.9600 . ?
C53 H53 0.9800 . ?
C53 C54 1.537(9) . ?
C53 C55 1.538(8) . ?
C66 H66A 0.9600 . ?
C66 H66B 0.9600 . ?
C66 H66C 0.9600 . ?
C57 H57 0.9300 . ?
C57 C56 1.397(8) . ?
C57 C58 1.389(8) . ?
C86 H86A 0.9600 . ?
C86 H86B 0.9600 . ?
C86 H86C 0.9600 . ?
C28 C33 1.387(8) . ?
C28 C29 1.406(8) . ?
C74 C77 1.502(8) . ?
C22 C25 1.522(8) . ?
C33 H33 0.9300 . ?
C33 C32 1.392(8) . ?
C56 C61 1.402(8) . ?
C59 C58 1.386(9) . ?
C59 C60 1.404(9) . ?
C59 C62 1.520(8) . ?
C40 C39 1.396(10) . ?
C40 C45 1.513(9) . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C44 H44C 0.9600 . ?
C58 H58 0.9300 . ?
C54 H54A 0.9600 . ?
C54 H54B 0.9600 . ?
C54 H54C 0.9600 . ?
C70 H70A 0.9600 . ?
C70 H70B 0.9600 . ?
C70 H70C 0.9600 . ?
C82 H82 0.9300 . ?
C82 C83 1.386(10) . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C50 H50 0.9800 . ?
C50 C52 1.525(8) . ?
C50 C51 1.534(9) . ?
C31 C32 1.394(9) . ?
C31 C30 1.390(9) . ?
C31 C35 1.523(8) . ?
C32 H32 0.9300 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C27 C25 1.527(9) . ?
C60 H60 0.9300 . ?
C60 C61 1.391(9) . ?
C69 H69A 0.9600 . ?
C69 H69B 0.9600 . ?
C69 H69C 0.9600 . ?
C52 H52A 0.9600 . ?
C52 H52B 0.9600 . ?
C52 H52C 0.9600 . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
C36 C35 1.505(9) . ?
C39 H39 0.9300 . ?
C87 H87A 0.9600 . ?
C87 H87B 0.9600 . ?
C87 H87C 0.9600 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C61 H61 0.9300 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C83 C84 1.386(10) . ?
C83 C88 1.520(9) . ?
C30 H30 0.9300 . ?
C30 C29 1.395(9) . ?
C55 H55A 0.9600 . ?
C55 H55B 0.9600 . ?
C55 H55C 0.9600 . ?
C84 H84 0.9300 . ?
C29 H29 0.9300 . ?
C77 H77 0.9800 . ?
C77 C79 1.535(9) . ?
C77 C78 1.534(9) . ?
C25 H25 0.9800 . ?
C25 C26 1.527(10) . ?
C35 H35 0.9800 . ?
C35 C34 1.523(10) . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C17 H17 0.9800 . ?
C17 C18 1.529(9) . ?
C17 C16 1.544(9) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C51 H51A 0.9600 . ?
C51 H51B 0.9600 . ?
C51 H51C 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C79 H79A 0.9600 . ?
C79 H79B 0.9600 . ?
C79 H79C 0.9600 . ?
C78 H78A 0.9600 . ?
C78 H78B 0.9600 . ?
C78 H78C 0.9600 . ?
C88 H88A 0.9600 . ?
C88 H88B 0.9600 . ?
C88 H88C 0.9600 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C62 H62 0.9800 . ?
C62 C64 1.513(11) . ?
C62 C63 1.527(11) . ?
C45 H45A 0.9600 . ?
C45 H45B 0.9600 . ?
C45 H45C 0.9600 . ?
C64 H64A 0.9600 . ?
C64 H64B 0.9600 . ?
C64 H64C 0.9600 . ?
C63 H63A 0.9600 . ?
C63 H63B 0.9600 . ?
C63 H63C 0.9600 . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N5 Rh2 N6 80.22(16) . . ?
B2 Rh2 N5 93.0(2) . . ?
B2 Rh2 N6 172.1(2) . . ?
C2 Rh2 N5 177.9(2) . . ?
C2 Rh2 N6 101.7(2) . . ?
C2 Rh2 B2 85.0(2) . . ?
N2 Rh1 N3 80.47(16) . . ?
B1 Rh1 N2 92.7(2) . . ?
B1 Rh1 N3 171.5(2) . . ?
C1 Rh1 N2 176.63(19) . . ?
C1 Rh1 N3 102.4(2) . . ?
C1 Rh1 B1 84.6(2) . . ?
N4 P3 C49 110.2(2) . . ?
N4 P3 C68 111.2(2) . . ?
N4 P3 C65 113.6(2) . . ?
C49 P3 C68 108.3(3) . . ?
C49 P3 C65 105.3(2) . . ?
C65 P3 C68 107.9(3) . . ?
N1 P1 C3 110.1(2) . . ?
N1 P1 C7 112.3(2) . . ?
N1 P1 C10 113.0(3) . . ?
C3 P1 C7 108.1(3) . . ?
C3 P1 C10 105.3(3) . . ?
C10 P1 C7 107.7(2) . . ?
N3 P2 C6 103.9(2) . . ?
N3 P2 C14 115.6(3) . . ?
N3 P2 C17 115.9(3) . . ?
C6 P2 C14 108.1(2) . . ?
C6 P2 C17 105.4(3) . . ?
C14 P2 C17 107.3(3) . . ?
N6 P4 C46 104.1(2) . . ?
N6 P4 C53 115.5(3) . . ?
N6 P4 C50 115.4(3) . . ?
C46 P4 C53 105.9(3) . . ?
C46 P4 C50 107.3(3) . . ?
C53 P4 C50 107.8(3) . . ?
C6 N2 Rh1 121.1(3) . . ?
C6 N2 C3 106.0(4) . . ?
C3 N2 Rh1 132.8(3) . . ?
C71 N4 P3 113.9(4) . . ?
C71 N4 B2 118.0(4) . . ?
B2 N4 P3 128.0(4) . . ?
C49 N5 Rh2 132.4(3) . . ?
C46 N5 Rh2 121.4(3) . . ?
C46 N5 C49 106.0(4) . . ?
C19 N1 P1 115.2(3) . . ?
C19 N1 B1 116.3(4) . . ?
B1 N1 P1 127.6(3) . . ?
P2 N3 Rh1 113.9(2) . . ?
C28 N3 Rh1 122.8(3) . . ?
C28 N3 P2 123.3(4) . . ?
P4 N6 Rh2 114.1(2) . . ?
C56 N6 Rh2 121.5(3) . . ?
C56 N6 P4 124.3(4) . . ?
C20 C19 N1 120.9(5) . . ?
C24 C19 N1 120.6(5) . . ?
C24 C19 C20 118.4(5) . . ?
C19 C20 H20 120.0 . . ?
C21 C20 C19 120.1(5) . . ?
C21 C20 H20 120.0 . . ?
N2 C6 P2 117.1(4) . . ?
N2 C6 C5 110.4(5) . . ?
C5 C6 P2 132.1(4) . . ?
N5 C49 P3 119.6(4) . . ?
N5 C49 C48 110.8(4) . . ?
C48 C49 P3 127.6(4) . . ?
C49 C48 H48 127.1 . . ?
C47 C48 C49 105.7(5) . . ?
C47 C48 H48 127.1 . . ?
C24 C23 H23 119.5 . . ?
C24 C23 C22 120.9(5) . . ?
C22 C23 H23 119.5 . . ?
C76 C71 N4 120.0(5) . . ?
C72 C71 N4 121.8(5) . . ?
C72 C71 C76 118.1(5) . . ?
N2 C3 P1 119.5(4) . . ?
N2 C3 C4 111.3(4) . . ?
C4 C3 P1 127.8(4) . . ?
C42 C37 B1 123.8(5) . . ?
C38 C37 C42 118.3(5) . . ?
C38 C37 B1 117.9(5) . . ?
C37 C42 C43 121.6(5) . . ?
C41 C42 C37 118.9(5) . . ?
C41 C42 C43 119.5(5) . . ?
P3 C68 H68 107.7 . . ?
C70 C68 P3 109.3(4) . . ?
C70 C68 H68 107.7 . . ?
C70 C68 C69 111.8(5) . . ?
C69 C68 P3 112.4(4) . . ?
C69 C68 H68 107.7 . . ?
C3 C4 H4 127.2 . . ?
C5 C4 C3 105.6(5) . . ?
C5 C4 H4 127.2 . . ?
C19 C24 H24 119.3 . . ?
C23 C24 C19 121.4(5) . . ?
C23 C24 H24 119.3 . . ?
C6 C5 H5 126.6 . . ?
C4 C5 C6 106.8(5) . . ?
C4 C5 H5 126.6 . . ?
P1 C7 H7 107.8 . . ?
C8 C7 P1 112.2(4) . . ?
C8 C7 H7 107.8 . . ?
C8 C7 C9 111.5(5) . . ?
C9 C7 P1 109.4(4) . . ?
C9 C7 H7 107.8 . . ?
P3 C65 H65 104.9 . . ?
C67 C65 P3 113.3(4) . . ?
C67 C65 H65 104.9 . . ?
C67 C65 C66 111.1(5) . . ?
C66 C65 P3 116.4(4) . . ?
C66 C65 H65 104.9 . . ?
P1 C10 H10 105.3 . . ?
C12 C10 P1 115.7(4) . . ?
C12 C10 H10 105.3 . . ?
C11 C10 P1 112.7(4) . . ?
C11 C10 H10 105.3 . . ?
C11 C10 C12 111.6(5) . . ?
N5 C46 P4 116.8(4) . . ?
N5 C46 C47 110.4(5) . . ?
C47 C46 P4 132.6(4) . . ?
C20 C21 H21 119.0 . . ?
C20 C21 C22 122.0(5) . . ?
C22 C21 H21 119.0 . . ?
P2 C14 H14 108.2 . . ?
C13 C14 P2 111.9(4) . . ?
C13 C14 H14 108.2 . . ?
C13 C14 C15 111.4(5) . . ?
C15 C14 P2 108.8(4) . . ?
C15 C14 H14 108.2 . . ?
C71 C76 H76 119.8 . . ?
C75 C76 C71 120.4(5) . . ?
C75 C76 H76 119.8 . . ?
C81 C80 C85 117.6(5) . . ?
C81 C80 B2 124.2(5) . . ?
C85 C80 B2 118.2(5) . . ?
C80 C81 C87 120.6(5) . . ?
C82 C81 C80 120.1(5) . . ?
C82 C81 C87 119.2(5) . . ?
C76 C75 H75 119.0 . . ?
C76 C75 C74 122.0(5) . . ?
C74 C75 H75 119.0 . . ?
C48 C47 C46 107.0(5) . . ?
C48 C47 H47 126.5 . . ?
C46 C47 H47 126.5 . . ?
C71 C72 H72 119.6 . . ?
C73 C72 C71 120.9(5) . . ?
C73 C72 H72 119.6 . . ?
C80 C85 C86 119.7(5) . . ?
C84 C85 C80 120.8(5) . . ?
C84 C85 C86 119.5(5) . . ?
C37 C38 C44 120.0(5) . . ?
C39 C38 C37 120.7(5) . . ?
C39 C38 C44 119.2(5) . . ?
N1 B1 Rh1 123.2(4) . . ?
N1 B1 C37 113.5(4) . . ?
C37 B1 Rh1 123.1(4) . . ?
N4 B2 Rh2 123.5(4) . . ?
N4 B2 C80 113.0(4) . . ?
C80 B2 Rh2 123.4(4) . . ?
C65 C67 H67A 109.5 . . ?
C65 C67 H67B 109.5 . . ?
C65 C67 H67C 109.5 . . ?
H67A C67 H67B 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
C72 C73 H73 119.4 . . ?
C72 C73 C74 121.2(5) . . ?
C74 C73 H73 119.4 . . ?
C42 C41 H41 118.7 . . ?
C40 C41 C42 122.7(6) . . ?
C40 C41 H41 118.7 . . ?
C42 C43 H43A 109.5 . . ?
C42 C43 H43B 109.5 . . ?
C42 C43 H43C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
P4 C53 H53 107.3 . . ?
C54 C53 P4 108.4(4) . . ?
C54 C53 H53 107.3 . . ?
C54 C53 C55 111.5(5) . . ?
C55 C53 P4 114.7(4) . . ?
C55 C53 H53 107.3 . . ?
C65 C66 H66A 109.5 . . ?
C65 C66 H66B 109.5 . . ?
C65 C66 H66C 109.5 . . ?
H66A C66 H66B 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
C56 C57 H57 119.2 . . ?
C58 C57 H57 119.2 . . ?
C58 C57 C56 121.6(5) . . ?
C85 C86 H86A 109.5 . . ?
C85 C86 H86B 109.5 . . ?
C85 C86 H86C 109.5 . . ?
H86A C86 H86B 109.5 . . ?
H86A C86 H86C 109.5 . . ?
H86B C86 H86C 109.5 . . ?
C33 C28 N3 119.1(5) . . ?
C33 C28 C29 117.0(5) . . ?
C29 C28 N3 123.8(5) . . ?
C75 C74 C77 121.1(5) . . ?
C73 C74 C75 117.3(5) . . ?
C73 C74 C77 121.6(5) . . ?
C23 C22 C21 117.2(5) . . ?
C23 C22 C25 123.1(5) . . ?
C21 C22 C25 119.5(5) . . ?
C28 C33 H33 119.0 . . ?
C28 C33 C32 122.0(5) . . ?
C32 C33 H33 119.0 . . ?
C57 C56 N6 118.7(5) . . ?
C57 C56 C61 116.8(5) . . ?
C61 C56 N6 124.5(5) . . ?
O2 C2 Rh2 175.8(5) . . ?
C58 C59 C60 116.8(5) . . ?
C58 C59 C62 119.8(6) . . ?
C60 C59 C62 123.4(6) . . ?
C41 C40 C39 118.4(6) . . ?
C41 C40 C45 121.3(7) . . ?
C39 C40 C45 120.3(7) . . ?
C38 C44 H44A 109.5 . . ?
C38 C44 H44B 109.5 . . ?
C38 C44 H44C 109.5 . . ?
H44A C44 H44B 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C57 C58 H58 119.1 . . ?
C59 C58 C57 121.9(6) . . ?
C59 C58 H58 119.1 . . ?
C53 C54 H54A 109.5 . . ?
C53 C54 H54B 109.5 . . ?
C53 C54 H54C 109.5 . . ?
H54A C54 H54B 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C68 C70 H70A 109.5 . . ?
C68 C70 H70B 109.5 . . ?
C68 C70 H70C 109.5 . . ?
H70A C70 H70B 109.5 . . ?
H70A C70 H70C 109.5 . . ?
H70B C70 H70C 109.5 . . ?
C81 C82 H82 119.2 . . ?
C83 C82 C81 121.6(6) . . ?
C83 C82 H82 119.2 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
P4 C50 H50 108.1 . . ?
C52 C50 P4 113.2(4) . . ?
C52 C50 H50 108.1 . . ?
C52 C50 C51 111.7(5) . . ?
C51 C50 P4 107.4(4) . . ?
C51 C50 H50 108.1 . . ?
C32 C31 C35 121.1(6) . . ?
C30 C31 C32 117.6(5) . . ?
C30 C31 C35 121.3(6) . . ?
C33 C32 C31 120.8(6) . . ?
C33 C32 H32 119.6 . . ?
C31 C32 H32 119.6 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
C59 C60 H60 119.2 . . ?
C61 C60 C59 121.7(6) . . ?
C61 C60 H60 119.2 . . ?
O1 C1 Rh1 176.7(5) . . ?
C68 C69 H69A 109.5 . . ?
C68 C69 H69B 109.5 . . ?
C68 C69 H69C 109.5 . . ?
H69A C69 H69B 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
C50 C52 H52A 109.5 . . ?
C50 C52 H52B 109.5 . . ?
C50 C52 H52C 109.5 . . ?
H52A C52 H52B 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
C38 C39 C40 121.0(6) . . ?
C38 C39 H39 119.5 . . ?
C40 C39 H39 119.5 . . ?
C81 C87 H87A 109.5 . . ?
C81 C87 H87B 109.5 . . ?
C81 C87 H87C 109.5 . . ?
H87A C87 H87B 109.5 . . ?
H87A C87 H87C 109.5 . . ?
H87B C87 H87C 109.5 . . ?
C14 C13 H13A 109.5 . . ?
C14 C13 H13B 109.5 . . ?
C14 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C56 C61 H61 119.4 . . ?
C60 C61 C56 121.2(6) . . ?
C60 C61 H61 119.4 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C82 C83 C88 120.6(7) . . ?
C84 C83 C82 118.5(6) . . ?
C84 C83 C88 120.9(7) . . ?
C31 C30 H30 119.3 . . ?
C31 C30 C29 121.5(6) . . ?
C29 C30 H30 119.3 . . ?
C53 C55 H55A 109.5 . . ?
C53 C55 H55B 109.5 . . ?
C53 C55 H55C 109.5 . . ?
H55A C55 H55B 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C85 C84 H84 119.3 . . ?
C83 C84 C85 121.4(6) . . ?
C83 C84 H84 119.3 . . ?
C28 C29 H29 119.6 . . ?
C30 C29 C28 120.8(6) . . ?
C30 C29 H29 119.6 . . ?
C74 C77 H77 108.0 . . ?
C74 C77 C79 112.2(5) . . ?
C74 C77 C78 110.0(5) . . ?
C79 C77 H77 108.0 . . ?
C78 C77 H77 108.0 . . ?
C78 C77 C79 110.5(6) . . ?
C22 C25 C27 114.3(5) . . ?
C22 C25 H25 107.9 . . ?
C22 C25 C26 110.5(5) . . ?
C27 C25 H25 107.9 . . ?
C27 C25 C26 108.2(5) . . ?
C26 C25 H25 107.9 . . ?
C31 C35 H35 107.3 . . ?
C31 C35 C34 110.4(5) . . ?
C36 C35 C31 112.2(5) . . ?
C36 C35 H35 107.3 . . ?
C36 C35 C34 112.0(7) . . ?
C34 C35 H35 107.3 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
P2 C17 H17 106.7 . . ?
C18 C17 P2 108.3(4) . . ?
C18 C17 H17 106.7 . . ?
C18 C17 C16 112.1(5) . . ?
C16 C17 P2 115.8(5) . . ?
C16 C17 H17 106.7 . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C50 C51 H51A 109.5 . . ?
C50 C51 H51B 109.5 . . ?
C50 C51 H51C 109.5 . . ?
H51A C51 H51B 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C17 C16 H16A 109.5 . . ?
C17 C16 H16B 109.5 . . ?
C17 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C77 C79 H79A 109.5 . . ?
C77 C79 H79B 109.5 . . ?
C77 C79 H79C 109.5 . . ?
H79A C79 H79B 109.5 . . ?
H79A C79 H79C 109.5 . . ?
H79B C79 H79C 109.5 . . ?
C77 C78 H78A 109.5 . . ?
C77 C78 H78B 109.5 . . ?
C77 C78 H78C 109.5 . . ?
H78A C78 H78B 109.5 . . ?
H78A C78 H78C 109.5 . . ?
H78B C78 H78C 109.5 . . ?
C83 C88 H88A 109.5 . . ?
C83 C88 H88B 109.5 . . ?
C83 C88 H88C 109.5 . . ?
H88A C88 H88B 109.5 . . ?
H88A C88 H88C 109.5 . . ?
H88B C88 H88C 109.5 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C59 C62 H62 107.1 . . ?
C59 C62 C63 110.0(6) . . ?
C64 C62 C59 113.6(6) . . ?
C64 C62 H62 107.1 . . ?
C64 C62 C63 111.6(6) . . ?
C63 C62 H62 107.1 . . ?
C40 C45 H45A 109.5 . . ?
C40 C45 H45B 109.5 . . ?
C40 C45 H45C 109.5 . . ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C62 C64 H64A 109.5 . . ?
C62 C64 H64B 109.5 . . ?
C62 C64 H64C 109.5 . . ?
H64A C64 H64B 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
C62 C63 H63A 109.5 . . ?
C62 C63 H63B 109.5 . . ?
C62 C63 H63C 109.5 . . ?
H63A C63 H63B 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
C35 C34 H34A 109.5 . . ?
C35 C34 H34B 109.5 . . ?
C35 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Rh2 N5 C49 P3 18.4(7) . . . . ?
Rh2 N5 C49 C48 -176.5(4) . . . . ?
Rh2 N5 C46 P4 -7.5(5) . . . . ?
Rh2 N5 C46 C47 176.6(4) . . . . ?
Rh2 N6 C56 C57 -44.9(6) . . . . ?
Rh2 N6 C56 C61 133.7(5) . . . . ?
Rh1 N2 C6 P2 -7.5(5) . . . . ?
Rh1 N2 C6 C5 178.8(3) . . . . ?
Rh1 N2 C3 P1 14.2(7) . . . . ?
Rh1 N2 C3 C4 -178.5(4) . . . . ?
Rh1 N3 C28 C33 -43.7(6) . . . . ?
Rh1 N3 C28 C29 134.9(5) . . . . ?
P3 N4 C71 C76 107.4(5) . . . . ?
P3 N4 C71 C72 -73.7(6) . . . . ?
P3 N4 B2 Rh2 10.8(7) . . . . ?
P3 N4 B2 C80 -164.7(4) . . . . ?
P3 C49 C48 C47 165.5(4) . . . . ?
P1 N1 C19 C20 111.3(5) . . . . ?
P1 N1 C19 C24 -72.9(6) . . . . ?
P1 N1 B1 Rh1 8.8(6) . . . . ?
P1 N1 B1 C37 -165.2(4) . . . . ?
P1 C3 C4 C5 166.6(4) . . . . ?
P2 N3 C28 C33 138.3(5) . . . . ?
P2 N3 C28 C29 -43.1(7) . . . . ?
P2 C6 C5 C4 -173.1(4) . . . . ?
P4 N6 C56 C57 138.4(5) . . . . ?
P4 N6 C56 C61 -43.0(7) . . . . ?
P4 C46 C47 C48 -175.1(4) . . . . ?
N2 C6 C5 C4 -0.6(6) . . . . ?
N2 C3 C4 C5 0.6(6) . . . . ?
N4 P3 C49 N5 -37.2(5) . . . . ?
N4 P3 C49 C48 160.5(5) . . . . ?
N4 P3 C68 C70 55.3(5) . . . . ?
N4 P3 C68 C69 -179.9(4) . . . . ?
N4 P3 C65 C67 -57.1(5) . . . . ?
N4 P3 C65 C66 73.7(5) . . . . ?
N4 C71 C76 C75 -179.0(5) . . . . ?
N4 C71 C72 C73 178.3(5) . . . . ?
N5 C49 C48 C47 1.9(6) . . . . ?
N5 C46 C47 C48 -0.1(6) . . . . ?
N1 P1 C3 N2 -37.0(5) . . . . ?
N1 P1 C3 C4 158.0(5) . . . . ?
N1 P1 C7 C8 178.3(4) . . . . ?
N1 P1 C7 C9 53.9(5) . . . . ?
N1 P1 C10 C12 76.0(5) . . . . ?
N1 P1 C10 C11 -54.0(5) . . . . ?
N1 C19 C20 C21 174.3(5) . . . . ?
N1 C19 C24 C23 -174.9(5) . . . . ?
N3 P2 C6 N2 -7.3(4) . . . . ?
N3 P2 C6 C5 164.7(5) . . . . ?
N3 P2 C14 C13 163.8(4) . . . . ?
N3 P2 C14 C15 40.3(5) . . . . ?
N3 P2 C17 C18 -41.7(5) . . . . ?
N3 P2 C17 C16 85.2(5) . . . . ?
N3 C28 C33 C32 -177.5(5) . . . . ?
N3 C28 C29 C30 177.4(5) . . . . ?
N6 P4 C46 N5 -7.0(5) . . . . ?
N6 P4 C46 C47 167.8(5) . . . . ?
N6 P4 C53 C54 -42.8(5) . . . . ?
N6 P4 C53 C55 82.5(5) . . . . ?
N6 P4 C50 C52 171.7(4) . . . . ?
N6 P4 C50 C51 47.8(5) . . . . ?
N6 C56 C61 C60 179.5(6) . . . . ?
C19 N1 B1 Rh1 -160.3(4) . . . . ?
C19 N1 B1 C37 25.7(6) . . . . ?
C19 C20 C21 C22 0.2(9) . . . . ?
C20 C19 C24 C23 0.9(8) . . . . ?
C20 C21 C22 C23 1.9(9) . . . . ?
C20 C21 C22 C25 -173.8(6) . . . . ?
C6 P2 N3 Rh1 17.0(3) . . . . ?
C6 P2 N3 C28 -164.8(4) . . . . ?
C6 P2 C14 C13 48.0(5) . . . . ?
C6 P2 C14 C15 -75.5(5) . . . . ?
C6 P2 C17 C18 72.5(5) . . . . ?
C6 P2 C17 C16 -160.6(5) . . . . ?
C6 N2 C3 P1 -168.3(4) . . . . ?
C6 N2 C3 C4 -1.0(6) . . . . ?
C49 P3 N4 C71 -161.2(3) . . . . ?
C49 P3 N4 B2 23.1(5) . . . . ?
C49 P3 C68 C70 -65.9(5) . . . . ?
C49 P3 C68 C69 58.8(5) . . . . ?
C49 P3 C65 C67 63.6(5) . . . . ?
C49 P3 C65 C66 -165.6(4) . . . . ?
C49 N5 C46 P4 177.1(4) . . . . ?
C49 N5 C46 C47 1.2(6) . . . . ?
C49 C48 C47 C46 -1.1(6) . . . . ?
C23 C22 C25 C27 10.5(9) . . . . ?
C23 C22 C25 C26 -111.9(7) . . . . ?
C71 N4 B2 Rh2 -164.8(4) . . . . ?
C71 N4 B2 C80 19.7(6) . . . . ?
C71 C76 C75 C74 -0.2(9) . . . . ?
C71 C72 C73 C74 1.6(9) . . . . ?
C3 P1 N1 C19 -164.9(4) . . . . ?
C3 P1 N1 B1 25.9(5) . . . . ?
C3 P1 C7 C8 56.6(5) . . . . ?
C3 P1 C7 C9 -67.7(5) . . . . ?
C3 P1 C10 C12 -163.8(4) . . . . ?
C3 P1 C10 C11 66.2(5) . . . . ?
C3 N2 C6 P2 174.7(4) . . . . ?
C3 N2 C6 C5 1.0(6) . . . . ?
C3 C4 C5 C6 0.0(6) . . . . ?
C37 C42 C41 C40 1.5(9) . . . . ?
C37 C38 C39 C40 1.2(9) . . . . ?
C42 C37 C38 C44 -179.6(5) . . . . ?
C42 C37 C38 C39 0.3(8) . . . . ?
C42 C37 B1 Rh1 99.4(6) . . . . ?
C42 C37 B1 N1 -86.6(6) . . . . ?
C42 C41 C40 C39 0.0(10) . . . . ?
C42 C41 C40 C45 179.3(7) . . . . ?
C68 P3 N4 C71 78.7(4) . . . . ?
C68 P3 N4 B2 -97.0(5) . . . . ?
C68 P3 C49 N5 84.7(5) . . . . ?
C68 P3 C49 C48 -77.6(5) . . . . ?
C68 P3 C65 C67 179.1(4) . . . . ?
C68 P3 C65 C66 -50.1(5) . . . . ?
C24 C19 C20 C21 -1.6(8) . . . . ?
C24 C23 C22 C21 -2.6(9) . . . . ?
C24 C23 C22 C25 173.0(5) . . . . ?
C7 P1 N1 C19 74.5(4) . . . . ?
C7 P1 N1 B1 -94.6(5) . . . . ?
C7 P1 C3 N2 86.0(5) . . . . ?
C7 P1 C3 C4 -79.0(6) . . . . ?
C7 P1 C10 C12 -48.6(5) . . . . ?
C7 P1 C10 C11 -178.6(4) . . . . ?
C65 P3 N4 C71 -43.3(4) . . . . ?
C65 P3 N4 B2 140.9(4) . . . . ?
C65 P3 C49 N5 -160.1(4) . . . . ?
C65 P3 C49 C48 37.6(6) . . . . ?
C65 P3 C68 C70 -179.4(4) . . . . ?
C65 P3 C68 C69 -54.7(5) . . . . ?
C10 P1 N1 C19 -47.5(4) . . . . ?
C10 P1 N1 B1 143.3(4) . . . . ?
C10 P1 C3 N2 -159.0(4) . . . . ?
C10 P1 C3 C4 36.0(6) . . . . ?
C10 P1 C7 C8 -56.7(5) . . . . ?
C10 P1 C7 C9 179.0(4) . . . . ?
C46 P4 N6 Rh2 16.6(3) . . . . ?
C46 P4 N6 C56 -166.4(4) . . . . ?
C46 P4 C53 C54 71.8(5) . . . . ?
C46 P4 C53 C55 -162.9(5) . . . . ?
C46 P4 C50 C52 56.2(5) . . . . ?
C46 P4 C50 C51 -67.7(5) . . . . ?
C46 N5 C49 P3 -167.0(4) . . . . ?
C46 N5 C49 C48 -1.9(6) . . . . ?
C21 C22 C25 C27 -174.1(6) . . . . ?
C21 C22 C25 C26 63.6(8) . . . . ?
C14 P2 N3 Rh1 -101.2(3) . . . . ?
C14 P2 N3 C28 77.0(5) . . . . ?
C14 P2 C6 N2 115.9(4) . . . . ?
C14 P2 C6 C5 -72.0(6) . . . . ?
C14 P2 C17 C18 -172.5(4) . . . . ?
C14 P2 C17 C16 -45.6(6) . . . . ?
C76 C71 C72 C73 -2.8(8) . . . . ?
C76 C75 C74 C73 -1.0(9) . . . . ?
C76 C75 C74 C77 177.0(6) . . . . ?
C80 C81 C82 C83 0.9(9) . . . . ?
C80 C85 C84 C83 0.2(9) . . . . ?
C81 C80 C85 C86 -178.8(5) . . . . ?
C81 C80 C85 C84 0.3(8) . . . . ?
C81 C80 B2 Rh2 98.0(6) . . . . ?
C81 C80 B2 N4 -86.5(6) . . . . ?
C81 C82 C83 C84 -0.4(10) . . . . ?
C81 C82 C83 C88 178.7(7) . . . . ?
C75 C74 C77 C79 53.2(8) . . . . ?
C75 C74 C77 C78 -70.2(8) . . . . ?
C72 C71 C76 C75 2.1(8) . . . . ?
C72 C73 C74 C75 0.3(9) . . . . ?
C72 C73 C74 C77 -177.7(6) . . . . ?
C85 C80 C81 C82 -0.8(8) . . . . ?
C85 C80 C81 C87 177.7(5) . . . . ?
C85 C80 B2 Rh2 -80.3(6) . . . . ?
C85 C80 B2 N4 95.2(6) . . . . ?
C38 C37 C42 C41 -1.6(8) . . . . ?
C38 C37 C42 C43 176.6(5) . . . . ?
C38 C37 B1 Rh1 -80.1(6) . . . . ?
C38 C37 B1 N1 93.9(5) . . . . ?
B1 N1 C19 C20 -78.3(6) . . . . ?
B1 N1 C19 C24 97.5(6) . . . . ?
B1 C37 C42 C41 178.9(5) . . . . ?
B1 C37 C42 C43 -2.9(8) . . . . ?
B1 C37 C38 C44 -0.1(7) . . . . ?
B1 C37 C38 C39 179.8(5) . . . . ?
B2 N4 C71 C76 -76.4(6) . . . . ?
B2 N4 C71 C72 102.5(6) . . . . ?
B2 C80 C81 C82 -179.1(5) . . . . ?
B2 C80 C81 C87 -0.7(8) . . . . ?
B2 C80 C85 C86 -0.4(8) . . . . ?
B2 C80 C85 C84 178.7(5) . . . . ?
C73 C74 C77 C79 -128.8(6) . . . . ?
C73 C74 C77 C78 107.8(7) . . . . ?
C41 C40 C39 C38 -1.4(9) . . . . ?
C43 C42 C41 C40 -176.8(6) . . . . ?
C53 P4 N6 Rh2 132.3(3) . . . . ?
C53 P4 N6 C56 -50.8(5) . . . . ?
C53 P4 C46 N5 -129.3(4) . . . . ?
C53 P4 C46 C47 45.5(6) . . . . ?
C53 P4 C50 C52 -57.5(5) . . . . ?
C53 P4 C50 C51 178.7(4) . . . . ?
C57 C56 C61 C60 -1.9(9) . . . . ?
C86 C85 C84 C83 179.3(6) . . . . ?
C28 C33 C32 C31 -0.2(9) . . . . ?
C22 C23 C24 C19 1.2(9) . . . . ?
C33 C28 C29 C30 -4.0(9) . . . . ?
C56 C57 C58 C59 1.1(10) . . . . ?
C59 C60 C61 C56 1.1(10) . . . . ?
C44 C38 C39 C40 -178.8(6) . . . . ?
C58 C57 C56 N6 179.5(5) . . . . ?
C58 C57 C56 C61 0.8(9) . . . . ?
C58 C59 C60 C61 0.9(10) . . . . ?
C58 C59 C62 C64 145.9(7) . . . . ?
C58 C59 C62 C63 -88.1(8) . . . . ?
C82 C83 C84 C85 -0.1(10) . . . . ?
C50 P4 N6 Rh2 -100.7(3) . . . . ?
C50 P4 N6 C56 76.2(5) . . . . ?
C50 P4 C46 N5 115.8(4) . . . . ?
C50 P4 C46 C47 -69.4(6) . . . . ?
C50 P4 C53 C54 -173.5(4) . . . . ?
C50 P4 C53 C55 -48.3(5) . . . . ?
C31 C30 C29 C28 0.5(10) . . . . ?
C32 C31 C30 C29 3.2(9) . . . . ?
C32 C31 C35 C36 61.0(8) . . . . ?
C32 C31 C35 C34 -64.6(9) . . . . ?
C60 C59 C58 C57 -1.9(9) . . . . ?
C60 C59 C62 C64 -34.5(9) . . . . ?
C60 C59 C62 C63 91.5(8) . . . . ?
C87 C81 C82 C83 -177.6(6) . . . . ?
C30 C31 C32 C33 -3.4(9) . . . . ?
C30 C31 C35 C36 -119.0(7) . . . . ?
C30 C31 C35 C34 115.3(9) . . . . ?
C29 C28 C33 C32 3.8(8) . . . . ?
C35 C31 C32 C33 176.5(5) . . . . ?
C35 C31 C30 C29 -176.7(6) . . . . ?
C17 P2 N3 Rh1 132.1(3) . . . . ?
C17 P2 N3 C28 -49.7(5) . . . . ?
C17 P2 C6 N2 -129.6(4) . . . . ?
C17 P2 C6 C5 42.5(6) . . . . ?
C17 P2 C14 C13 -65.2(5) . . . . ?
C17 P2 C14 C15 171.3(4) . . . . ?
C88 C83 C84 C85 -179.2(7) . . . . ?
C62 C59 C58 C57 177.7(6) . . . . ?
C62 C59 C60 C61 -178.8(6) . . . . ?
C45 C40 C39 C38 179.3(6) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.713 0.000 0.500 522.9 70.4 ?
2 -0.040 0.344 0.860 7.3 0.0 ?
3 0.040 0.656 0.140 7.3 0.0 ?
4 0.420 0.359 0.735 10.0 0.0 ?
5 0.580 0.641 0.265 10.0 0.0 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_exptl_crystal_mounting_method 'MiTiGen loop'
_olex2_submission_original_sample_id PH20004
_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 1.936
_oxdiff_exptl_absorpt_empirical_full_min 0.527
_chemical_properties_physical    Moisture-sensitive
