# Supplementary Information (SI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2026

####################################################################### 
# 
# 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_0779abc25h
_database_code_depnum_ccdc_archive 'CCDC 2545198'
loop_
_audit_author_name
_audit_author_address
'Adrian Chaplin'
;University of Warwick
United Kingdom
;
_audit_update_record             
;
2026-04-10 deposited with the CCDC.	2026-06-05 downloaded from the CCDC.
;

#====================================================================
# [Rh(Me2-pybox)(CO)][BArF4].CH2Cl2
#--------------------------------------------------------------------
# Collected and solved by Adrian Chaplin
#--------------------------------------------------------------------  
# Start Validation Reply Form 

_vrf_PLAT910_0779abc25h          
; 
PROBLEM: Missing FCF Reflection(s) Below Theta(Min)[Deg]=       6.40 Note
RESPONSE: 
In the context of the data set collected, this is a small number of 
reflections.
See _diffrn_reflns_number and 
_diffrn_reflns_point_group_measured_fraction_full 
;
#====================================================================

_audit_creation_date             2025-07-24
_audit_creation_method           
;
Olex2 1.5
(compiled 2025.05.31 svn.r86d253d1 for OlexSys, GUI svn.r7254)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            .
_chemical_name_systematic        .
_chemical_formula_moiety         'C16 H19 N3 O3 Rh, C H2 Cl2, C32 H12 B F24'
_chemical_formula_sum            'C49 H33 B Cl2 F24 N3 O3 Rh'
_chemical_formula_weight         1352.40
_chemical_absolute_configuration .
_chemical_melting_point          'not measured'
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'
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'
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                   12.33351(14)
_cell_length_b                   12.39365(12)
_cell_length_c                   17.62656(17)
_cell_angle_alpha                78.8638(8)
_cell_angle_beta                 85.9666(9)
_cell_angle_gamma                82.7178(9)
_cell_volume                     2619.38(5)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    57703
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      77.1800
_cell_measurement_theta_min      3.6380
_shelx_estimated_absorpt_T_max   .
_shelx_estimated_absorpt_T_min   .
_exptl_absorpt_coefficient_mu    4.782
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.297
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.44.100a (Rigaku Oxford Diffraction, 2025)
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            purple
_exptl_crystal_density_diffrn    1.715
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_method    .
_exptl_crystal_description       block
_exptl_crystal_F_000             1344
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
4 -6 -1 0.0813
1 0 11 0.0500
-4 6 0 0.1045
1 -6 5 0.0668
8 1 4 0.1160
2 7 -4 0.0984
-7 0 -5 0.1154
-1 -2 1 0.0922
1 -4 -10 0.0786
6 6 -1 0.0847
4 3 -8 0.0699
3 3 11 0.0539
-2 -8 -2 0.0805
-6 4 -2 0.0863
0 8 0 0.0999
5 6 7 0.0757
_exptl_crystal_size_max          0.261
_exptl_crystal_size_mid          0.185
_exptl_crystal_size_min          0.173
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
4.0446 -6.3708 -1.4176 -0.0196 0.6185 0.7854
0.7910 -0.4405 11.0874 0.0211 -0.7142 0.7020
-4.0539 6.2746 -0.1442 0.0162 -0.5049 -0.8628
1.1336 -6.1179 5.2205 0.3038 0.0106 0.9531
7.6068 1.3018 4.3051 -0.8243 -0.0252 0.5649
1.8869 6.8730 -3.6837 -0.6472 -0.0211 -0.7616
-7.2944 -0.0828 -4.9738 0.7117 0.0215 -0.7022
-0.9847 -1.9812 1.0177 0.2309 -0.0108 0.1908
1.4379 -3.8028 -10.4535 0.0234 0.9951 -0.1196
5.8932 5.7585 -0.8581 -0.9646 0.0218 -0.2575
3.6575 3.3795 -7.9544 -0.6358 0.5414 -0.5504
2.5834 2.9961 10.9792 -0.3770 -0.8073 0.4676
-1.6610 -8.0137 -2.3088 0.6561 0.5096 0.5558
-6.4681 3.5785 -1.8481 0.4189 -0.3527 -0.8378
0.3235 7.7986 -0.4568 -0.5253 -0.3658 -0.7673
4.9226 5.7774 7.0429 -0.8149 -0.5741 0.1186

_exptl_special_details           .
_exptl_transmission_factor_max   .
_exptl_transmission_factor_min   .
_diffrn_reflns_av_R_equivalents  0.0463
_diffrn_reflns_av_unetI/netI     0.0226
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            85266
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        74.502
_diffrn_reflns_theta_max         74.502
_diffrn_reflns_theta_min         6.403
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            'HyPix-Arc 100'
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_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  41.00   0.50    0.15    --   38.00  92.00 138.19   68
  2  ω    -58.00 -30.00   0.50    0.15    --   14.00 158.00 146.44   56
  3  ω    -34.00  -7.00   0.50    0.15    --   10.00 117.00 -49.87   54
  4  ω     17.00  43.00   0.50    0.15    --   46.00  90.00-131.15   52
  5  ω     17.00  43.00   0.50    0.15    --   46.00  90.00 -77.02   52
  6  ω     15.00  41.00   0.50    0.15    --   46.00  92.00  -4.48   52
  7  ω     41.00 106.00   0.50    0.15    --  104.61 -94.00 120.00  130
  8  ω     37.00 111.00   0.50    0.15    --  104.61-125.00 150.00  148
  9  ω     37.00 111.00   0.50    0.15    --  104.61-125.00  90.00  148
 10  ω     37.00 111.00   0.50    0.15    --  104.61-125.00  90.00  148
 11  ω     37.00 111.00   0.50    0.15    --  104.61-125.00   0.00  148
 12  ω     37.00 111.00   0.50    0.15    --  104.61-125.00 -60.00  148
 13  ω     37.00 111.00   0.50    0.15    --  104.61-125.00-120.00  148
 14  ω     37.00 111.00   0.50    0.15    --  104.61-125.00 -90.00  148
 15  ω     37.00 111.00   0.50    0.15    --  104.61-125.00 -30.00  148
 16  ω     41.00 106.00   0.50    0.15    --  104.61 -94.00-120.00  130
 17  ω     42.00 109.00   0.50    0.15    --  108.75-115.00 104.72  134
 18  ω     42.00 107.00   0.50    0.15    --  108.75-105.00 170.22  130
 19  ω     43.00 109.00   0.50    0.15    --  108.75-114.00 147.67  132
 20  ω     43.00 109.00   0.50    0.15    --  108.75-114.00 147.67  132
 21  ω     41.00 106.00   0.50    0.15    --  104.61 -94.00   0.00  130
 22  ω     41.00 106.00   0.50    0.15    --  104.61 -94.00 -30.00  130
 23  ω     41.00 106.00   0.50    0.15    --  104.61 -94.00 -90.00  130
 24  ω     41.00 106.00   0.50    0.15    --  104.61 -94.00-180.00  130
 25  ω     35.00  71.00   0.50    0.15    --  104.61 -61.00-180.00   72
 26  ω     41.00 106.00   0.50    0.15    --  104.61 -77.00-180.00  130
 27  ω     35.00  71.00   0.50    0.15    --  104.61 -61.00 -60.00   72
 28  ω     35.00  71.00   0.50    0.15    --  104.61 -61.00 -90.00   72
 29  ω     41.00 106.00   0.50    0.15    --  104.61 -77.00   0.00  130
 30  ω     38.00  85.00   0.50    0.15    --  104.61 -69.00  28.00   94
 31  ω     35.00  71.00   0.50    0.15    --  104.61 -61.00   0.00   72
 32  ω     35.00  71.00   0.50    0.15    --  104.61 -61.00  30.00   72
 33  ω     35.00  71.00   0.50    0.15    --  104.61 -61.00 150.00   72
 34  ω     37.00 172.00   0.50    0.15    --  104.61   0.00  60.00  270
 35  ω     32.00 116.00   0.50    0.15    --   49.41  69.00 160.00  168
 36  ω     87.00 172.00   0.50    0.15    --  104.61  69.00 160.00  170
 37  ω     83.00 168.00   0.50    0.15    --  104.61  77.00 120.00  170
 38  ω     52.00 138.00   0.50    0.15    --   74.00  77.00  78.68  172
 39  ω     83.00 168.00   0.50    0.15    --  104.61  77.00-120.00  170
 40  ω     89.00 174.00   0.50    0.15    --  104.61  61.00 -90.00  170
 41  ω     93.00 178.00   0.50    0.15    --  104.61  45.00 -60.00  170
 42  ω     89.00 174.00   0.50    0.15    --  104.61  61.00 -90.00  170
 43  ω     93.00 178.00   0.50    0.15    --  104.61  45.00-150.00  170
 44  ω     93.00 178.00   0.50    0.15    --  104.61  45.00-150.00  170
 45  ω     93.00 178.00   0.50    0.15    --  104.61  45.00-120.00  170
 46  ω     89.00 178.00   0.50    0.15    --  104.61  30.00   0.00  178
 47  ω     89.00 178.00   0.50    0.15    --  104.61  30.00   0.00  178
 48  ω     89.00 150.00   0.50    0.15    --  104.61  30.00  90.00  122
 49  ω     37.00 172.00   0.50    0.15    --  104.61   0.00  60.00  270
 50  ω    -17.00  67.00   0.50    0.15    --   49.41 -69.00  28.00  168
 51  ω   -101.00 -16.00   0.50    0.15    --  -79.28  77.00   0.00  170
 52  ω   -101.00 -16.00   0.50    0.15    --  -79.28  77.00   0.00  170
 53  ω   -101.00 -16.00   0.50    0.15    --  -79.28  77.00  60.00  170
 54  ω    -85.00 -12.00   0.50    0.15    --  -79.28  69.00 160.00  146
 55  ω    -66.00  18.00   0.50    0.15    --  -48.54  69.00 160.00  168
 56  ω    -71.00 -10.00   0.50    0.15    --  -79.28  61.00 -90.00  122
 57  ω    -51.00  -6.00   0.50    0.15    --  -79.28  45.00 -30.00   90
 58  ω    -51.00  -6.00   0.50    0.15    --  -79.28  45.00-120.00   90
 59  ω    -51.00  -6.00   0.50    0.15    --  -79.28  45.00 -60.00   90
 60  ω    -51.00  -6.00   0.50    0.15    --  -79.28  45.00 -90.00   90
 61  ω    -51.00  -6.00   0.50    0.15    --  -79.28  45.00-150.00   90
 62  ω    -35.00  -4.00   0.50    0.15    --  -79.28  30.00-180.00   62
 63  ω    -35.00  -4.00   0.50    0.15    --  -79.28  30.00  90.00   62
 64  ω    -35.00  -4.00   0.50    0.15    --  -79.28  30.00 150.00   62
 65  ω    -35.00  -4.00   0.50    0.15    --  -79.28  30.00 120.00   62
 66  ω    -35.00  -4.00   0.50    0.15    --  -79.28  30.00   0.00   62
 67  ω     95.00 172.00   0.50    0.15    --  104.61 125.00 120.00  154
 68  ω     95.00 172.00   0.50    0.15    --  104.61 125.00-150.00  154
 69  ω   -138.00 -53.00   0.50    0.15    --  -70.00 -66.00-144.65  170
 70  ω   -134.00 -48.00   0.50    0.15    --  -70.00 -76.00 -64.27  172
 71  ω   -146.00 -61.00   0.50    0.15    --  -79.28 -69.00  28.00  170
 72  ω   -115.00 -31.00   0.50    0.15    --  -48.54 -69.00  28.00  168
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  
'Rigaku Oxford Diffraction: XtaLAB Synergy, Dualflex, HyPix-Arc 100'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.1013876000
_diffrn_orient_matrix_UB_12      -0.0627668000
_diffrn_orient_matrix_UB_13      0.0066445000
_diffrn_orient_matrix_UB_21      0.0452042000
_diffrn_orient_matrix_UB_22      -0.0528646000
_diffrn_orient_matrix_UB_23      -0.0697402000
_diffrn_orient_matrix_UB_31      0.0597442000
_diffrn_orient_matrix_UB_32      -0.0976370000
_diffrn_orient_matrix_UB_33      0.0551776000
_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              'PhotonJet (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10212
_reflns_number_total             10659
_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 1.171.44.100a (Rigaku OD, 2025)'
_computing_data_collection       
'CrysAlisPro system (CCD 44.100a 64-bit (release 20-03-2025))'
_computing_data_reduction        'CrysAlisPro 1.171.44.100a (Rigaku OD, 2025)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         0.826
_refine_diff_density_min         -1.532
_refine_diff_density_rms         0.088
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     759
_refine_ls_number_reflns         10659
_refine_ls_number_restraints     146
_refine_ls_R_factor_all          0.0381
_refine_ls_R_factor_gt           0.0370
_refine_ls_restrained_S_all      1.058
_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)+(0.0617P)²+3.2237P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1032
_refine_ls_wR_factor_ref         0.1040
_refine_special_details          .
_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 C(H,H,H) groups
2. Restrained distances
 Cl2-C90 \\sim Cl2-C90A
 with sigma of 0.01
 Cl1A-C90A \\sim Cl1-C90
 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
F1 \\sim F2 \\sim F3 \\sim F4 \\sim F5 \\sim F6 \\sim F7 \\sim F8 \\sim F9
\\sim F10 \\sim F11 \\sim F12 \\sim F13 \\sim F14 \\sim F15 \\sim F16 \\sim F17
\\sim F18 \\sim F19 \\sim F20 \\sim F21 \\sim F22 \\sim F23 \\sim F24: within
2A with sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
Uanis(F1) \\sim Ueq, Uanis(F2) \\sim Ueq, Uanis(F3) \\sim Ueq, Uanis(F4) \\sim
Ueq, Uanis(F5) \\sim Ueq, Uanis(F6) \\sim Ueq, Uanis(F7) \\sim Ueq, Uanis(F8)
\\sim Ueq, Uanis(F9) \\sim Ueq, Uanis(F10) \\sim Ueq, Uanis(F11) \\sim Ueq,
Uanis(F12) \\sim Ueq, Uanis(F13) \\sim Ueq, Uanis(F14) \\sim Ueq, Uanis(F15)
\\sim Ueq, Uanis(F16) \\sim Ueq, Uanis(F17) \\sim Ueq, Uanis(F18) \\sim Ueq,
Uanis(F19) \\sim Ueq, Uanis(F20) \\sim Ueq, Uanis(F21) \\sim Ueq, Uanis(F22)
\\sim Ueq, Uanis(F23) \\sim Ueq, Uanis(F24) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
Uanis(C90) = Uanis(C90A)
Uanis(Cl1A) = Uanis(Cl1)
4. Others
 Sof(Cl1A)=Sof(C90A)=Sof(H90C)=Sof(H90D)=1-FVAR(1)
 Sof(Cl1)=Sof(C90)=Sof(H90A)=Sof(H90B)=FVAR(1)
5.a Secondary CH2 refined with riding coordinates:
 C28(H28A,H28B), C34(H34A,H34B), C90(H90A,H90B), C90A(H90C,H90D)
5.b Aromatic/amide H refined with riding coordinates:
 C22(H22), C23(H23), C24(H24), C202(H202), C204(H204), C206(H206), C210(H210),
 C212(H212), C214(H214), C218(H218), C220(H220), C222(H222), C226(H226),
 C228(H228), C230(H230)
5.c Idealised Me refined as rotating group:
 C30(H30A,H30B,H30C), C31(H31A,H31B,H31C), C36(H36A,H36B,H36C), C37(H37A,H37B,
 H37C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
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 1.09112(2) -0.02711(2) 0.30982(2) 0.01663(7) Uani 1 1 d . . . . .
O5 O 1.20636(18) -0.17939(18) 0.43939(12) 0.0383(5) Uani 1 1 d . . . . .
O27 O 0.82372(14) -0.11508(14) 0.22122(11) 0.0241(4) Uani 1 1 d . . . . .
O33 O 1.19485(15) 0.27396(14) 0.21943(11) 0.0268(4) Uani 1 1 d . . . . .
N2 N 0.96931(16) -0.11542(16) 0.29146(11) 0.0187(4) Uani 1 1 d . . . . .
N3 N 1.17898(16) 0.10584(17) 0.29180(12) 0.0202(4) Uani 1 1 d . . . . .
N20 N 1.00510(16) 0.08083(15) 0.22905(11) 0.0169(4) Uani 1 1 d . . . . .
C4 C 1.1641(2) -0.1227(2) 0.38921(15) 0.0239(5) Uani 1 1 d . . . . .
C21 C 0.91525(19) 0.0522(2) 0.20352(14) 0.0204(5) Uani 1 1 d . . . . .
C22 C 0.8505(2) 0.1263(2) 0.15105(15) 0.0260(5) Uani 1 1 d . . . . .
H22 H 0.786789 0.105951 0.132699 0.031 Uiso 1 1 calc R U . . .
C23 C 0.8825(2) 0.2316(2) 0.12644(15) 0.0287(6) Uani 1 1 d . . . . .
H23 H 0.839545 0.284304 0.090786 0.034 Uiso 1 1 calc R U . . .
C24 C 0.9756(2) 0.2613(2) 0.15279(15) 0.0254(5) Uani 1 1 d . . . . .
H24 H 0.996964 0.333469 0.136118 0.031 Uiso 1 1 calc R U . . .
C25 C 1.0368(2) 0.18174(19) 0.20450(14) 0.0202(5) Uani 1 1 d . . . . .
C26 C 0.90219(19) -0.0630(2) 0.24036(13) 0.0188(4) Uani 1 1 d . . . . .
C28 C 0.8284(2) -0.2193(2) 0.27763(15) 0.0253(5) Uani 1 1 d . . . . .
H28A H 0.822143 -0.282306 0.251823 0.030 Uiso 1 1 calc R U . . .
H28B H 0.768584 -0.216039 0.317951 0.030 Uiso 1 1 calc R U . . .
C29 C 0.9415(2) -0.23131(19) 0.31340(14) 0.0210(5) Uani 1 1 d . . . . .
C30 C 1.0275(2) -0.3056(2) 0.27498(16) 0.0280(5) Uani 1 1 d . . . . .
H30A H 1.011323 -0.382476 0.289362 0.042 Uiso 1 1 calc R U . . .
H30B H 1.099952 -0.299739 0.292247 0.042 Uiso 1 1 calc R U . . .
H30C H 1.026378 -0.282188 0.218631 0.042 Uiso 1 1 calc R U . . .
C31 C 0.9338(2) -0.2676(2) 0.40102(15) 0.0266(5) Uani 1 1 d . . . . .
H31A H 0.880765 -0.215284 0.423502 0.040 Uiso 1 1 calc R U . . .
H31B H 1.005709 -0.269105 0.421842 0.040 Uiso 1 1 calc R U . . .
H31C H 0.909997 -0.341709 0.414110 0.040 Uiso 1 1 calc R U . . .
C32 C 1.1399(2) 0.1879(2) 0.24046(15) 0.0217(5) Uani 1 1 d . . . . .
C34 C 1.2839(2) 0.2548(2) 0.27345(18) 0.0311(6) Uani 1 1 d . . . . .
H34A H 1.268910 0.303490 0.312272 0.037 Uiso 1 1 calc R U . . .
H34B H 1.354447 0.269335 0.245264 0.037 Uiso 1 1 calc R U . . .
C35 C 1.2872(2) 0.1314(2) 0.31301(16) 0.0253(5) Uani 1 1 d . . . . .
C36 C 1.2929(2) 0.1147(2) 0.40026(17) 0.0316(6) Uani 1 1 d . . . . .
H36A H 1.229821 0.157757 0.421445 0.047 Uiso 1 1 calc R U . . .
H36B H 1.360584 0.139532 0.413007 0.047 Uiso 1 1 calc R U . . .
H36C H 1.291986 0.036019 0.422691 0.047 Uiso 1 1 calc R U . . .
C37 C 1.3770(2) 0.0583(2) 0.27710(19) 0.0329(6) Uani 1 1 d . . . . .
H37A H 1.368828 -0.019693 0.297726 0.049 Uiso 1 1 calc R U . . .
H37B H 1.448610 0.074575 0.289662 0.049 Uiso 1 1 calc R U . . .
H37C H 1.371301 0.072970 0.220773 0.049 Uiso 1 1 calc R U . . .
Cl1 Cl 0.08839(8) 0.91343(8) 0.07059(6) 0.0515(3) Uani 0.915(2) 1 d D . P A 1
Cl1A Cl 0.0544(8) 1.0117(9) 0.0138(6) 0.0515(3) Uani 0.085(2) 1 d D . P A 2
Cl2 Cl 0.23853(8) 1.06473(7) 0.09471(5) 0.0483(2) Uani 1 1 d D . . . .
C90 C 0.2114(3) 0.9287(3) 0.1097(2) 0.0356(7) Uani 0.915(2) 1 d D . P A 1
H90A H 0.207763 0.898977 0.165987 0.043 Uiso 0.915(2) 1 calc R U P A 1
H90B H 0.272344 0.884471 0.085984 0.043 Uiso 0.915(2) 1 calc R U P A 1
C90A C 0.158(2) 0.9656(14) 0.0804(17) 0.0356(7) Uani 0.085(2) 1 d D . P A 2
H90C H 0.123118 0.934699 0.130933 0.043 Uiso 0.085(2) 1 calc R U P A 2
H90D H 0.206361 0.904459 0.062652 0.043 Uiso 0.085(2) 1 calc R U P A 2
F1 F 0.93397(13) 0.52188(13) 0.07233(10) 0.0327(4) Uani 1 1 d . U . . .
F2 F 0.86758(13) 0.64380(15) -0.02152(9) 0.0340(4) Uani 1 1 d . U . . .
F3 F 0.96709(13) 0.69064(14) 0.05891(11) 0.0356(4) Uani 1 1 d . U . . .
F4 F 0.64713(16) 0.97565(13) 0.08045(11) 0.0453(5) Uani 1 1 d . U . . .
F5 F 0.49051(16) 0.91227(14) 0.09778(13) 0.0481(5) Uani 1 1 d . U . . .
F6 F 0.57416(15) 0.93712(13) 0.19353(10) 0.0356(4) Uani 1 1 d . U . . .
F7 F 0.63303(14) 0.23272(16) 0.05586(11) 0.0415(4) Uani 1 1 d . U . . .
F8 F 0.47341(17) 0.17881(14) 0.06892(12) 0.0478(5) Uani 1 1 d . U . . .
F9 F 0.51391(17) 0.30108(15) -0.02728(10) 0.0414(4) Uani 1 1 d . U . . .
F10 F 0.21066(15) 0.57485(15) 0.03160(10) 0.0396(4) Uani 1 1 d . U . . .
F11 F 0.15554(13) 0.51896(15) 0.14850(12) 0.0429(4) Uani 1 1 d . U . . .
F12 F 0.23408(14) 0.66634(14) 0.11937(12) 0.0409(4) Uani 1 1 d . U . . .
F13 F 0.95749(13) 0.42894(15) 0.41359(11) 0.0372(4) Uani 1 1 d . U . . .
F14 F 1.02232(13) 0.38871(17) 0.30608(10) 0.0384(4) Uani 1 1 d . U . . .
F15 F 1.02669(14) 0.26259(15) 0.40740(13) 0.0454(5) Uani 1 1 d . U . . .
F16 F 0.77152(16) 0.00606(14) 0.40500(14) 0.0501(5) Uani 1 1 d . U . . .
F17 F 0.60211(15) 0.07127(14) 0.41161(11) 0.0417(4) Uani 1 1 d . U . . .
F18 F 0.67877(17) 0.04435(14) 0.30411(10) 0.0424(4) Uani 1 1 d . U . . .
F19 F 0.62852(14) 0.77209(15) 0.43608(10) 0.0374(4) Uani 1 1 d . U . . .
F20 F 0.46297(16) 0.84909(13) 0.43096(11) 0.0408(4) Uani 1 1 d . U . . .
F21 F 0.51592(15) 0.73799(13) 0.53360(9) 0.0329(4) Uani 1 1 d . U . . .
F22 F 0.24719(13) 0.46719(14) 0.53165(9) 0.0308(3) Uani 1 1 d . U . . .
F23 F 0.16885(13) 0.55947(15) 0.43107(11) 0.0400(4) Uani 1 1 d . U . . .
F24 F 0.24342(14) 0.39340(15) 0.43145(11) 0.0393(4) Uani 1 1 d . U . . .
C201 C 0.64754(18) 0.59257(19) 0.20082(13) 0.0163(4) Uani 1 1 d . . . . .
C202 C 0.74301(18) 0.57009(18) 0.15572(13) 0.0160(4) Uani 1 1 d . . . . .
H202 H 0.777804 0.496250 0.161558 0.019 Uiso 1 1 calc R U . . .
C203 C 0.78840(18) 0.65290(19) 0.10253(13) 0.0172(4) Uani 1 1 d . . . . .
C204 C 0.74045(19) 0.76214(19) 0.09230(13) 0.0194(4) Uani 1 1 d . . . . .
H204 H 0.772368 0.818742 0.056921 0.023 Uiso 1 1 calc R U . . .
C205 C 0.64477(19) 0.78631(19) 0.13514(13) 0.0184(4) Uani 1 1 d . . . . .
C206 C 0.59947(18) 0.70328(19) 0.18772(13) 0.0172(4) Uani 1 1 d . . . . .
H206 H 0.533493 0.722074 0.215877 0.021 Uiso 1 1 calc R U . . .
C207 C 0.8892(2) 0.6267(2) 0.05417(14) 0.0217(5) Uani 1 1 d . . . . .
C208 C 0.5892(2) 0.9023(2) 0.12604(15) 0.0241(5) Uani 1 1 d . . . . .
C209 C 0.50956(18) 0.45618(18) 0.19739(13) 0.0159(4) Uani 1 1 d . . . . .
C210 C 0.54699(18) 0.37585(19) 0.15261(13) 0.0175(4) Uani 1 1 d . . . . .
H210 H 0.616055 0.333575 0.162383 0.021 Uiso 1 1 calc R U . . .
C211 C 0.48586(19) 0.35612(19) 0.09413(13) 0.0183(4) Uani 1 1 d . . . . .
C212 C 0.3847(2) 0.4162(2) 0.07744(14) 0.0206(5) Uani 1 1 d . . . . .
H212 H 0.343051 0.402749 0.037604 0.025 Uiso 1 1 calc R U . . .
C213 C 0.34639(19) 0.49676(19) 0.12100(14) 0.0195(5) Uani 1 1 d . . . . .
C214 C 0.40727(18) 0.51608(18) 0.17950(13) 0.0181(4) Uani 1 1 d . . . . .
H214 H 0.378714 0.571578 0.208274 0.022 Uiso 1 1 calc R U . . .
C215 C 0.5263(2) 0.2672(2) 0.04866(14) 0.0223(5) Uani 1 1 d . . . . .
C216 C 0.2369(2) 0.5638(2) 0.10515(15) 0.0239(5) Uani 1 1 d . . . . .
C217 C 0.67644(18) 0.39163(19) 0.29672(13) 0.0160(4) Uani 1 1 d . . . . .
C218 C 0.77950(19) 0.40985(19) 0.31762(13) 0.0179(4) Uani 1 1 d . . . . .
H218 H 0.799032 0.483178 0.307281 0.021 Uiso 1 1 calc R U . . .
C219 C 0.85419(19) 0.3240(2) 0.35305(13) 0.0193(5) Uani 1 1 d . . . . .
C220 C 0.8292(2) 0.2154(2) 0.37027(13) 0.0204(5) Uani 1 1 d . . . . .
H220 H 0.880350 0.156719 0.393750 0.024 Uiso 1 1 calc R U . . .
C221 C 0.7266(2) 0.19566(19) 0.35192(13) 0.0197(5) Uani 1 1 d . . . . .
C222 C 0.65238(19) 0.28206(19) 0.31629(13) 0.0178(4) Uani 1 1 d . . . . .
H222 H 0.582762 0.265772 0.304878 0.021 Uiso 1 1 calc R U . . .
C223 C 0.9640(2) 0.3502(2) 0.37092(15) 0.0230(5) Uani 1 1 d . . . . .
C224 C 0.6950(2) 0.0799(2) 0.36913(15) 0.0241(5) Uani 1 1 d . . . . .
C225 C 0.51608(18) 0.53923(18) 0.32901(13) 0.0164(4) Uani 1 1 d . . . . .
C226 C 0.54969(18) 0.62145(19) 0.36364(13) 0.0172(4) Uani 1 1 d . . . . .
H226 H 0.615081 0.652350 0.344316 0.021 Uiso 1 1 calc R U . . .
C227 C 0.49047(19) 0.65929(19) 0.42538(13) 0.0181(4) Uani 1 1 d . . . . .
C228 C 0.39564(19) 0.61519(19) 0.45645(13) 0.0193(4) Uani 1 1 d . . . . .
H228 H 0.355300 0.640718 0.498747 0.023 Uiso 1 1 calc R U . . .
C229 C 0.36147(19) 0.53254(19) 0.42380(13) 0.0183(4) Uani 1 1 d . . . . .
C230 C 0.42036(19) 0.49558(19) 0.36123(13) 0.0176(4) Uani 1 1 d . . . . .
H230 H 0.394690 0.439223 0.339957 0.021 Uiso 1 1 calc R U . . .
C231 C 0.5245(2) 0.7540(2) 0.45629(14) 0.0211(5) Uani 1 1 d . . . . .
C232 C 0.2562(2) 0.4883(2) 0.45405(14) 0.0218(5) Uani 1 1 d . . . . .
B200 B 0.5876(2) 0.4936(2) 0.25734(15) 0.0156(5) 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 N2 2.045(2) . ?
Rh1 N3 2.047(2) . ?
Rh1 N20 2.0147(19) . ?
Rh1 C4 1.855(2) . ?
O5 C4 1.131(3) . ?
O27 C26 1.325(3) . ?
O27 C28 1.467(3) . ?
O33 C32 1.315(3) . ?
O33 C34 1.471(3) . ?
N2 C26 1.289(3) . ?
N2 C29 1.491(3) . ?
N3 C32 1.291(3) . ?
N3 C35 1.498(3) . ?
N20 C21 1.337(3) . ?
N20 C25 1.340(3) . ?
C21 C22 1.388(3) . ?
C21 C26 1.473(3) . ?
C22 H22 0.9500 . ?
C22 C23 1.391(4) . ?
C23 H23 0.9500 . ?
C23 C24 1.386(4) . ?
C24 H24 0.9500 . ?
C24 C25 1.391(4) . ?
C25 C32 1.477(3) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C28 C29 1.550(3) . ?
C29 C30 1.524(3) . ?
C29 C31 1.523(3) . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C34 C35 1.551(4) . ?
C35 C36 1.517(4) . ?
C35 C37 1.522(4) . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
Cl1 C90 1.755(3) . ?
Cl1A Cl1A 1.54(2) 2_575 ?
Cl1A C90A 1.761(11) . ?
Cl2 C90 1.727(4) . ?
Cl2 C90A 1.740(10) . ?
C90 H90A 0.9900 . ?
C90 H90B 0.9900 . ?
C90A H90C 0.9900 . ?
C90A H90D 0.9900 . ?
F1 C207 1.333(3) . ?
F2 C207 1.350(3) . ?
F3 C207 1.336(3) . ?
F4 C208 1.336(3) . ?
F5 C208 1.330(3) . ?
F6 C208 1.335(3) . ?
F7 C215 1.338(3) . ?
F8 C215 1.323(3) . ?
F9 C215 1.337(3) . ?
F10 C216 1.335(3) . ?
F11 C216 1.330(3) . ?
F12 C216 1.338(3) . ?
F13 C223 1.334(3) . ?
F14 C223 1.346(3) . ?
F15 C223 1.333(3) . ?
F16 C224 1.330(3) . ?
F17 C224 1.328(3) . ?
F18 C224 1.340(3) . ?
F19 C231 1.342(3) . ?
F20 C231 1.335(3) . ?
F21 C231 1.337(3) . ?
F22 C232 1.341(3) . ?
F23 C232 1.336(3) . ?
F24 C232 1.343(3) . ?
C201 C202 1.402(3) . ?
C201 C206 1.406(3) . ?
C201 B200 1.642(3) . ?
C202 H202 0.9500 . ?
C202 C203 1.395(3) . ?
C203 C204 1.390(3) . ?
C203 C207 1.495(3) . ?
C204 H204 0.9500 . ?
C204 C205 1.387(3) . ?
C205 C206 1.391(3) . ?
C205 C208 1.497(3) . ?
C206 H206 0.9500 . ?
C209 C210 1.401(3) . ?
C209 C214 1.404(3) . ?
C209 B200 1.645(3) . ?
C210 H210 0.9500 . ?
C210 C211 1.394(3) . ?
C211 C212 1.389(3) . ?
C211 C215 1.501(3) . ?
C212 H212 0.9500 . ?
C212 C213 1.391(3) . ?
C213 C214 1.391(3) . ?
C213 C216 1.507(3) . ?
C214 H214 0.9500 . ?
C217 C218 1.405(3) . ?
C217 C222 1.399(3) . ?
C217 B200 1.642(3) . ?
C218 H218 0.9500 . ?
C218 C219 1.395(3) . ?
C219 C220 1.390(3) . ?
C219 C223 1.500(3) . ?
C220 H220 0.9500 . ?
C220 C221 1.390(3) . ?
C221 C222 1.397(3) . ?
C221 C224 1.504(3) . ?
C222 H222 0.9500 . ?
C225 C226 1.402(3) . ?
C225 C230 1.399(3) . ?
C225 B200 1.639(3) . ?
C226 H226 0.9500 . ?
C226 C227 1.391(3) . ?
C227 C228 1.387(3) . ?
C227 C231 1.502(3) . ?
C228 H228 0.9500 . ?
C228 C229 1.389(3) . ?
C229 C230 1.397(3) . ?
C229 C232 1.497(3) . ?
C230 H230 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
N2 Rh1 N3 155.83(8) . . ?
N20 Rh1 N2 77.74(8) . . ?
N20 Rh1 N3 78.12(8) . . ?
C4 Rh1 N2 102.15(10) . . ?
C4 Rh1 N3 102.02(10) . . ?
C4 Rh1 N20 176.14(9) . . ?
C26 O27 C28 104.54(18) . . ?
C32 O33 C34 104.9(2) . . ?
C26 N2 Rh1 114.15(16) . . ?
C26 N2 C29 107.50(19) . . ?
C29 N2 Rh1 137.82(15) . . ?
C32 N3 Rh1 113.91(16) . . ?
C32 N3 C35 107.7(2) . . ?
C35 N3 Rh1 137.72(17) . . ?
C21 N20 Rh1 119.51(16) . . ?
C21 N20 C25 121.4(2) . . ?
C25 N20 Rh1 119.02(16) . . ?
O5 C4 Rh1 177.7(3) . . ?
N20 C21 C22 121.3(2) . . ?
N20 C21 C26 108.8(2) . . ?
C22 C21 C26 129.9(2) . . ?
C21 C22 H22 121.3 . . ?
C21 C22 C23 117.3(2) . . ?
C23 C22 H22 121.3 . . ?
C22 C23 H23 119.3 . . ?
C24 C23 C22 121.4(2) . . ?
C24 C23 H23 119.3 . . ?
C23 C24 H24 121.2 . . ?
C23 C24 C25 117.6(2) . . ?
C25 C24 H24 121.2 . . ?
N20 C25 C24 120.9(2) . . ?
N20 C25 C32 109.2(2) . . ?
C24 C25 C32 129.9(2) . . ?
O27 C26 C21 121.4(2) . . ?
N2 C26 O27 118.8(2) . . ?
N2 C26 C21 119.7(2) . . ?
O27 C28 H28A 110.8 . . ?
O27 C28 H28B 110.8 . . ?
O27 C28 C29 104.88(19) . . ?
H28A C28 H28B 108.8 . . ?
C29 C28 H28A 110.8 . . ?
C29 C28 H28B 110.8 . . ?
N2 C29 C28 100.78(18) . . ?
N2 C29 C30 108.1(2) . . ?
N2 C29 C31 110.91(19) . . ?
C30 C29 C28 112.3(2) . . ?
C31 C29 C28 111.9(2) . . ?
C31 C29 C30 112.2(2) . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C29 C31 H31A 109.5 . . ?
C29 C31 H31B 109.5 . . ?
C29 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
O33 C32 C25 121.3(2) . . ?
N3 C32 O33 119.1(2) . . ?
N3 C32 C25 119.6(2) . . ?
O33 C34 H34A 110.7 . . ?
O33 C34 H34B 110.7 . . ?
O33 C34 C35 105.3(2) . . ?
H34A C34 H34B 108.8 . . ?
C35 C34 H34A 110.7 . . ?
C35 C34 H34B 110.7 . . ?
N3 C35 C34 100.6(2) . . ?
N3 C35 C36 110.5(2) . . ?
N3 C35 C37 108.2(2) . . ?
C36 C35 C34 112.5(2) . . ?
C36 C35 C37 112.2(2) . . ?
C37 C35 C34 112.1(2) . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C35 C37 H37A 109.5 . . ?
C35 C37 H37B 109.5 . . ?
C35 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
Cl1A Cl1A C90A 145.6(13) 2_575 . ?
Cl1 C90 H90A 109.0 . . ?
Cl1 C90 H90B 109.0 . . ?
Cl2 C90 Cl1 112.93(18) . . ?
Cl2 C90 H90A 109.0 . . ?
Cl2 C90 H90B 109.0 . . ?
H90A C90 H90B 107.8 . . ?
Cl1A C90A H90C 108.3 . . ?
Cl1A C90A H90D 108.3 . . ?
Cl2 C90A Cl1A 116.1(9) . . ?
Cl2 C90A H90C 108.3 . . ?
Cl2 C90A H90D 108.3 . . ?
H90C C90A H90D 107.4 . . ?
C202 C201 C206 115.7(2) . . ?
C202 C201 B200 121.93(19) . . ?
C206 C201 B200 122.0(2) . . ?
C201 C202 H202 119.0 . . ?
C203 C202 C201 122.0(2) . . ?
C203 C202 H202 119.0 . . ?
C202 C203 C207 121.0(2) . . ?
C204 C203 C202 121.0(2) . . ?
C204 C203 C207 118.0(2) . . ?
C203 C204 H204 120.9 . . ?
C205 C204 C203 118.2(2) . . ?
C205 C204 H204 120.9 . . ?
C204 C205 C206 120.5(2) . . ?
C204 C205 C208 120.5(2) . . ?
C206 C205 C208 118.9(2) . . ?
C201 C206 H206 118.7 . . ?
C205 C206 C201 122.6(2) . . ?
C205 C206 H206 118.7 . . ?
F1 C207 F2 106.1(2) . . ?
F1 C207 F3 107.1(2) . . ?
F1 C207 C203 113.5(2) . . ?
F2 C207 C203 111.2(2) . . ?
F3 C207 F2 105.9(2) . . ?
F3 C207 C203 112.5(2) . . ?
F4 C208 C205 112.8(2) . . ?
F5 C208 F4 108.0(2) . . ?
F5 C208 F6 106.1(2) . . ?
F5 C208 C205 112.3(2) . . ?
F6 C208 F4 105.2(2) . . ?
F6 C208 C205 111.9(2) . . ?
C210 C209 C214 116.0(2) . . ?
C210 C209 B200 122.51(19) . . ?
C214 C209 B200 120.7(2) . . ?
C209 C210 H210 119.0 . . ?
C211 C210 C209 121.9(2) . . ?
C211 C210 H210 119.0 . . ?
C210 C211 C215 120.9(2) . . ?
C212 C211 C210 121.1(2) . . ?
C212 C211 C215 118.0(2) . . ?
C211 C212 H212 121.1 . . ?
C211 C212 C213 117.8(2) . . ?
C213 C212 H212 121.1 . . ?
C212 C213 C216 119.7(2) . . ?
C214 C213 C212 121.0(2) . . ?
C214 C213 C216 119.3(2) . . ?
C209 C214 H214 119.0 . . ?
C213 C214 C209 122.1(2) . . ?
C213 C214 H214 119.0 . . ?
F7 C215 C211 113.0(2) . . ?
F8 C215 F7 107.1(2) . . ?
F8 C215 F9 105.8(2) . . ?
F8 C215 C211 112.5(2) . . ?
F9 C215 F7 105.5(2) . . ?
F9 C215 C211 112.4(2) . . ?
F10 C216 F12 106.5(2) . . ?
F10 C216 C213 112.5(2) . . ?
F11 C216 F10 106.5(2) . . ?
F11 C216 F12 106.2(2) . . ?
F11 C216 C213 112.6(2) . . ?
F12 C216 C213 112.1(2) . . ?
C218 C217 B200 122.0(2) . . ?
C222 C217 C218 115.4(2) . . ?
C222 C217 B200 122.5(2) . . ?
C217 C218 H218 118.9 . . ?
C219 C218 C217 122.3(2) . . ?
C219 C218 H218 118.9 . . ?
C218 C219 C223 118.8(2) . . ?
C220 C219 C218 121.2(2) . . ?
C220 C219 C223 120.1(2) . . ?
C219 C220 H220 121.2 . . ?
C221 C220 C219 117.6(2) . . ?
C221 C220 H220 121.2 . . ?
C220 C221 C222 120.8(2) . . ?
C220 C221 C224 120.0(2) . . ?
C222 C221 C224 119.1(2) . . ?
C217 C222 H222 118.7 . . ?
C221 C222 C217 122.7(2) . . ?
C221 C222 H222 118.7 . . ?
F13 C223 F14 105.1(2) . . ?
F13 C223 C219 113.1(2) . . ?
F14 C223 C219 111.7(2) . . ?
F15 C223 F13 107.3(2) . . ?
F15 C223 F14 105.5(2) . . ?
F15 C223 C219 113.4(2) . . ?
F16 C224 F18 105.5(2) . . ?
F16 C224 C221 113.1(2) . . ?
F17 C224 F16 107.7(2) . . ?
F17 C224 F18 105.5(2) . . ?
F17 C224 C221 113.0(2) . . ?
F18 C224 C221 111.5(2) . . ?
C226 C225 B200 121.8(2) . . ?
C230 C225 C226 116.0(2) . . ?
C230 C225 B200 122.1(2) . . ?
C225 C226 H226 118.9 . . ?
C227 C226 C225 122.2(2) . . ?
C227 C226 H226 118.9 . . ?
C226 C227 C231 120.3(2) . . ?
C228 C227 C226 120.9(2) . . ?
C228 C227 C231 118.7(2) . . ?
C227 C228 H228 121.0 . . ?
C227 C228 C229 117.9(2) . . ?
C229 C228 H228 121.0 . . ?
C228 C229 C230 121.0(2) . . ?
C228 C229 C232 118.5(2) . . ?
C230 C229 C232 120.4(2) . . ?
C225 C230 H230 119.1 . . ?
C229 C230 C225 121.9(2) . . ?
C229 C230 H230 119.1 . . ?
F19 C231 C227 113.1(2) . . ?
F20 C231 F19 106.3(2) . . ?
F20 C231 F21 106.3(2) . . ?
F20 C231 C227 112.0(2) . . ?
F21 C231 F19 106.3(2) . . ?
F21 C231 C227 112.3(2) . . ?
F22 C232 F24 106.1(2) . . ?
F22 C232 C229 112.4(2) . . ?
F23 C232 F22 105.8(2) . . ?
F23 C232 F24 106.3(2) . . ?
F23 C232 C229 112.3(2) . . ?
F24 C232 C229 113.2(2) . . ?
C201 B200 C209 102.17(17) . . ?
C217 B200 C201 112.08(18) . . ?
C217 B200 C209 112.78(18) . . ?
C225 B200 C201 111.40(18) . . ?
C225 B200 C209 112.07(18) . . ?
C225 B200 C217 106.47(18) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Rh1 N2 C26 O27 176.44(16) . . . . ?
Rh1 N2 C26 C21 -2.4(3) . . . . ?
Rh1 N2 C29 C28 176.09(18) . . . . ?
Rh1 N2 C29 C30 -66.0(3) . . . . ?
Rh1 N2 C29 C31 57.5(3) . . . . ?
Rh1 N3 C32 O33 -174.26(17) . . . . ?
Rh1 N3 C32 C25 3.5(3) . . . . ?
Rh1 N3 C35 C34 -179.95(19) . . . . ?
Rh1 N3 C35 C36 -60.8(3) . . . . ?
Rh1 N3 C35 C37 62.4(3) . . . . ?
Rh1 N20 C21 C22 176.46(18) . . . . ?
Rh1 N20 C21 C26 -3.1(3) . . . . ?
Rh1 N20 C25 C24 -175.60(18) . . . . ?
Rh1 N20 C25 C32 4.7(2) . . . . ?
O27 C28 C29 N2 17.9(2) . . . . ?
O27 C28 C29 C30 -96.9(2) . . . . ?
O27 C28 C29 C31 135.8(2) . . . . ?
O33 C34 C35 N3 -15.1(3) . . . . ?
O33 C34 C35 C36 -132.8(2) . . . . ?
O33 C34 C35 C37 99.7(2) . . . . ?
N20 C21 C22 C23 -0.3(4) . . . . ?
N20 C21 C26 O27 -175.2(2) . . . . ?
N20 C21 C26 N2 3.6(3) . . . . ?
N20 C25 C32 O33 172.4(2) . . . . ?
N20 C25 C32 N3 -5.3(3) . . . . ?
C21 N20 C25 C24 1.5(3) . . . . ?
C21 N20 C25 C32 -178.2(2) . . . . ?
C21 C22 C23 C24 0.4(4) . . . . ?
C22 C21 C26 O27 5.2(4) . . . . ?
C22 C21 C26 N2 -175.9(2) . . . . ?
C22 C23 C24 C25 0.4(4) . . . . ?
C23 C24 C25 N20 -1.4(4) . . . . ?
C23 C24 C25 C32 178.2(2) . . . . ?
C24 C25 C32 O33 -7.3(4) . . . . ?
C24 C25 C32 N3 175.0(2) . . . . ?
C25 N20 C21 C22 -0.7(4) . . . . ?
C25 N20 C21 C26 179.7(2) . . . . ?
C26 O27 C28 C29 -16.7(2) . . . . ?
C26 N2 C29 C28 -13.3(2) . . . . ?
C26 N2 C29 C30 104.7(2) . . . . ?
C26 N2 C29 C31 -131.9(2) . . . . ?
C26 C21 C22 C23 179.2(2) . . . . ?
C28 O27 C26 N2 9.1(3) . . . . ?
C28 O27 C26 C21 -172.1(2) . . . . ?
C29 N2 C26 O27 3.3(3) . . . . ?
C29 N2 C26 C21 -175.6(2) . . . . ?
C32 O33 C34 C35 14.5(3) . . . . ?
C32 N3 C35 C34 10.9(3) . . . . ?
C32 N3 C35 C36 130.0(2) . . . . ?
C32 N3 C35 C37 -106.8(2) . . . . ?
C34 O33 C32 N3 -8.3(3) . . . . ?
C34 O33 C32 C25 174.0(2) . . . . ?
C35 N3 C32 O33 -2.2(3) . . . . ?
C35 N3 C32 C25 175.6(2) . . . . ?
Cl1A Cl1A C90A Cl2 -159.8(18) 2_575 . . . ?
C201 C202 C203 C204 0.3(3) . . . . ?
C201 C202 C203 C207 -179.0(2) . . . . ?
C202 C201 C206 C205 -1.8(3) . . . . ?
C202 C201 B200 C209 -85.5(2) . . . . ?
C202 C201 B200 C217 35.5(3) . . . . ?
C202 C201 B200 C225 154.7(2) . . . . ?
C202 C203 C204 C205 -1.4(3) . . . . ?
C202 C203 C207 F1 -5.7(3) . . . . ?
C202 C203 C207 F2 113.9(2) . . . . ?
C202 C203 C207 F3 -127.5(2) . . . . ?
C203 C204 C205 C206 1.0(3) . . . . ?
C203 C204 C205 C208 -179.6(2) . . . . ?
C204 C203 C207 F1 175.0(2) . . . . ?
C204 C203 C207 F2 -65.4(3) . . . . ?
C204 C203 C207 F3 53.2(3) . . . . ?
C204 C205 C206 C201 0.6(4) . . . . ?
C204 C205 C208 F4 -6.4(3) . . . . ?
C204 C205 C208 F5 115.9(3) . . . . ?
C204 C205 C208 F6 -124.9(2) . . . . ?
C206 C201 C202 C203 1.3(3) . . . . ?
C206 C201 B200 C209 86.9(2) . . . . ?
C206 C201 B200 C217 -152.1(2) . . . . ?
C206 C201 B200 C225 -33.0(3) . . . . ?
C206 C205 C208 F4 173.0(2) . . . . ?
C206 C205 C208 F5 -64.6(3) . . . . ?
C206 C205 C208 F6 54.6(3) . . . . ?
C207 C203 C204 C205 177.9(2) . . . . ?
C208 C205 C206 C201 -178.8(2) . . . . ?
C209 C210 C211 C212 0.3(4) . . . . ?
C209 C210 C211 C215 -178.1(2) . . . . ?
C210 C209 C214 C213 0.2(3) . . . . ?
C210 C209 B200 C201 87.7(2) . . . . ?
C210 C209 B200 C217 -32.8(3) . . . . ?
C210 C209 B200 C225 -152.9(2) . . . . ?
C210 C211 C212 C213 0.0(4) . . . . ?
C210 C211 C215 F7 -16.3(3) . . . . ?
C210 C211 C215 F8 105.2(3) . . . . ?
C210 C211 C215 F9 -135.5(2) . . . . ?
C211 C212 C213 C214 -0.3(4) . . . . ?
C211 C212 C213 C216 -179.8(2) . . . . ?
C212 C211 C215 F7 165.2(2) . . . . ?
C212 C211 C215 F8 -73.3(3) . . . . ?
C212 C211 C215 F9 46.0(3) . . . . ?
C212 C213 C214 C209 0.1(4) . . . . ?
C212 C213 C216 F10 -28.5(3) . . . . ?
C212 C213 C216 F11 91.8(3) . . . . ?
C212 C213 C216 F12 -148.5(2) . . . . ?
C214 C209 C210 C211 -0.4(3) . . . . ?
C214 C209 B200 C201 -82.0(2) . . . . ?
C214 C209 B200 C217 157.5(2) . . . . ?
C214 C209 B200 C225 37.3(3) . . . . ?
C214 C213 C216 F10 151.9(2) . . . . ?
C214 C213 C216 F11 -87.8(3) . . . . ?
C214 C213 C216 F12 32.0(3) . . . . ?
C215 C211 C212 C213 178.5(2) . . . . ?
C216 C213 C214 C209 179.7(2) . . . . ?
C217 C218 C219 C220 -0.8(4) . . . . ?
C217 C218 C219 C223 177.9(2) . . . . ?
C218 C217 C222 C221 -2.0(3) . . . . ?
C218 C217 B200 C201 34.1(3) . . . . ?
C218 C217 B200 C209 148.8(2) . . . . ?
C218 C217 B200 C225 -87.9(2) . . . . ?
C218 C219 C220 C221 -0.9(3) . . . . ?
C218 C219 C223 F13 54.9(3) . . . . ?
C218 C219 C223 F14 -63.4(3) . . . . ?
C218 C219 C223 F15 177.5(2) . . . . ?
C219 C220 C221 C222 1.0(3) . . . . ?
C219 C220 C221 C224 179.9(2) . . . . ?
C220 C219 C223 F13 -126.4(2) . . . . ?
C220 C219 C223 F14 115.2(2) . . . . ?
C220 C219 C223 F15 -3.8(3) . . . . ?
C220 C221 C222 C217 0.4(4) . . . . ?
C220 C221 C224 F16 2.8(3) . . . . ?
C220 C221 C224 F17 125.5(3) . . . . ?
C220 C221 C224 F18 -115.8(3) . . . . ?
C222 C217 C218 C219 2.1(3) . . . . ?
C222 C217 B200 C201 -150.1(2) . . . . ?
C222 C217 B200 C209 -35.4(3) . . . . ?
C222 C217 B200 C225 87.9(2) . . . . ?
C222 C221 C224 F16 -178.2(2) . . . . ?
C222 C221 C224 F17 -55.5(3) . . . . ?
C222 C221 C224 F18 63.1(3) . . . . ?
C223 C219 C220 C221 -179.5(2) . . . . ?
C224 C221 C222 C217 -178.5(2) . . . . ?
C225 C226 C227 C228 1.2(3) . . . . ?
C225 C226 C227 C231 -174.9(2) . . . . ?
C226 C225 C230 C229 0.5(3) . . . . ?
C226 C225 B200 C201 -34.4(3) . . . . ?
C226 C225 B200 C209 -148.2(2) . . . . ?
C226 C225 B200 C217 88.0(2) . . . . ?
C226 C227 C228 C229 -0.3(3) . . . . ?
C226 C227 C231 F19 -18.9(3) . . . . ?
C226 C227 C231 F20 101.2(3) . . . . ?
C226 C227 C231 F21 -139.3(2) . . . . ?
C227 C228 C229 C230 -0.5(3) . . . . ?
C227 C228 C229 C232 -176.9(2) . . . . ?
C228 C227 C231 F19 164.9(2) . . . . ?
C228 C227 C231 F20 -75.0(3) . . . . ?
C228 C227 C231 F21 44.5(3) . . . . ?
C228 C229 C230 C225 0.4(3) . . . . ?
C228 C229 C232 F22 -45.5(3) . . . . ?
C228 C229 C232 F23 73.7(3) . . . . ?
C228 C229 C232 F24 -165.8(2) . . . . ?
C230 C225 C226 C227 -1.3(3) . . . . ?
C230 C225 B200 C201 148.1(2) . . . . ?
C230 C225 B200 C209 34.4(3) . . . . ?
C230 C225 B200 C217 -89.4(2) . . . . ?
C230 C229 C232 F22 138.1(2) . . . . ?
C230 C229 C232 F23 -102.7(3) . . . . ?
C230 C229 C232 F24 17.8(3) . . . . ?
C231 C227 C228 C229 175.9(2) . . . . ?
C232 C229 C230 C225 176.7(2) . . . . ?
B200 C201 C202 C203 174.1(2) . . . . ?
B200 C201 C206 C205 -174.5(2) . . . . ?
B200 C209 C210 C211 -170.6(2) . . . . ?
B200 C209 C214 C213 170.5(2) . . . . ?
B200 C217 C218 C219 178.2(2) . . . . ?
B200 C217 C222 C221 -178.0(2) . . . . ?
B200 C225 C226 C227 -178.8(2) . . . . ?
B200 C225 C230 C229 178.1(2) . . . . ?

_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 38.629
_oxdiff_exptl_absorpt_empirical_full_min 0.714
####################################################################### 
# 
# 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_0783abc25h
_database_code_depnum_ccdc_archive 'CCDC 2545199'
loop_
_audit_author_name
_audit_author_address
'Adrian Chaplin'
;University of Warwick
United Kingdom
;
_audit_update_record             
;
2026-04-10 deposited with the CCDC.	2026-06-05 downloaded from the CCDC.
;

#====================================================================
# [Rh(Me2-pybox)Cl2(CO)][BArF4]
#--------------------------------------------------------------------
# Collected and solved by Adrian Chaplin
#--------------------------------------------------------------------  
# Start Validation Reply Form 

_vrf_PLAT910_0783abc25h          
; 
PROBLEM: Missing FCF Reflection(s) Below Theta(Min)[Deg]=       6.53 Note  
RESPONSE: 
In the context of the data set collected, this is a small number of 
reflections.
See _diffrn_reflns_number and 
_diffrn_reflns_point_group_measured_fraction_full 
;

_vrf_PLAT301_0783abc25h          
; 
PROBLEM: Main Residue  Disorder ..............(Resd    1)        11% Note 
RESPONSE: 
The structure contains a significant degree of disorder. 
See _publ_section_exptl_refinement.
;
#====================================================================

_audit_creation_date             2025-07-24
_audit_creation_method           
;
Olex2 1.5
(compiled 2025.05.31 svn.r86d253d1 for OlexSys, GUI svn.r7254)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            .
_chemical_name_systematic        .
_chemical_formula_moiety         'C16 H19 Cl2 N3 O3 Rh, C32 H12 B F24'
_chemical_formula_sum            'C48 H31 B Cl2 F24 N3 O3 Rh'
_chemical_formula_weight         1338.38
_chemical_absolute_configuration .
_chemical_melting_point          'not measured'
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'
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'
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                   12.72394(19)
_cell_length_b                   14.65464(13)
_cell_length_c                   15.0519(2)
_cell_angle_alpha                69.2231(11)
_cell_angle_beta                 85.7951(12)
_cell_angle_gamma                80.8919(12)
_cell_volume                     2590.60(6)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    79501
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      78.1790
_cell_measurement_theta_min      3.1360
_shelx_estimated_absorpt_T_max   .
_shelx_estimated_absorpt_T_min   .
_exptl_absorpt_coefficient_mu    4.828
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.249
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.44.117a (Rigaku Oxford Diffraction, 2025)
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    1.716
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_method    .
_exptl_crystal_description       block
_exptl_crystal_F_000             1328
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0 9 0 0.0635
0 -9 0 0.0841
8 4 0 0.1100
-8 -4 0 0.1312
3 -7 -7 0.1448
-3 7 7 0.1208
3 9 6 0.1233
7 0 -3 0.1256
-7 2 4 0.1164
-3 -9 -6 0.1208
3 5 9 0.1377
-6 0 6 0.1094
-6 -7 0 0.1329
6 0 -6 0.1325
-2 3 -7 0.1318
-5 4 -4 0.0948
8 4 4 0.1245
8 -1 1 0.1234
-2 -8 -8 0.1391
_exptl_crystal_size_max          0.321
_exptl_crystal_size_mid          0.242
_exptl_crystal_size_min          0.149
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
-0.3745 8.7595 0.0883 -0.2261 -0.6387 0.7344
0.3568 -8.7769 -0.1601 0.2236 0.6330 -0.7387
7.8117 3.9692 -0.0293 -0.8750 0.3107 0.3708
-7.8156 -3.9363 0.0600 0.8764 -0.3109 -0.3668
3.3269 -6.7075 -6.7279 -0.5611 0.1987 -0.8022
-3.2964 6.7323 6.7352 0.5578 -0.1976 0.8047
2.8463 8.8902 5.9401 -0.1520 0.0542 0.9861
7.4740 -0.4909 -3.4592 -0.9335 0.3310 -0.1356
-7.1189 1.5107 4.1289 0.9126 -0.3236 0.2485
-3.4323 -8.8041 -5.6308 0.2262 -0.0806 -0.9700
2.6655 5.1952 9.2531 0.1982 0.5601 0.8030
-5.9806 -0.0458 6.0745 0.9797 0.0247 0.1986
-6.1660 -6.6661 0.2438 0.8134 0.0210 -0.5798
5.9880 0.0650 -6.0633 -0.9802 -0.0246 -0.1965
-2.3941 2.7446 -7.2334 -0.3333 -0.9409 -0.0599
-4.5617 4.3703 -4.2149 0.0257 -0.9838 0.1808
7.5167 3.9399 4.4626 -0.5479 0.6418 0.5390
7.8117 -1.3534 0.9189 -0.6493 0.7599 -0.0382
-2.2481 -7.5159 -8.2001 -0.0975 -0.2825 -0.9547

_exptl_special_details           .
_exptl_transmission_factor_max   .
_exptl_transmission_factor_min   .
_diffrn_reflns_av_R_equivalents  0.0337
_diffrn_reflns_av_unetI/netI     0.0136
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            106367
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        74.502
_diffrn_reflns_theta_max         74.502
_diffrn_reflns_theta_min         6.527
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            'HyPix-Arc 100'
_diffrn_measured_fraction_theta_full 0.995
_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     34.00 111.00   0.50    0.12    --  104.61-125.00-180.00  154
  2  ω     39.00 115.00   0.50    0.12    --  108.75-129.00 -85.45  152
  3  ω     34.00 111.00   0.50    0.12    --  104.61-125.00 -30.00  154
  4  ω     34.00 111.00   0.50    0.12    --  104.61-125.00   0.00  154
  5  ω     34.00 111.00   0.50    0.12    --  104.61-125.00  60.00  154
  6  ω     34.00 111.00   0.50    0.12    --  104.61-125.00  90.00  154
  7  ω     34.00 111.00   0.50    0.12    --  104.61-125.00  90.00  154
  8  ω     38.00 109.00   0.50    0.12    --  108.75-117.00 130.61  142
  9  ω     34.00 111.00   0.50    0.12    --  104.61-125.00   0.00  154
 10  ω     39.00 109.00   0.50    0.12    --  108.75-114.00  -3.06  140
 11  ω     38.00 109.00   0.50    0.12    --  108.75-117.00 130.61  142
 12  ω     41.00 108.00   0.50    0.12    --  108.75-107.00 108.02  134
 13  ω     38.00 110.00   0.50    0.12    --  108.75-120.00 -83.36  144
 14  ω     41.00 107.00   0.50    0.12    --  108.75-104.00-129.62  132
 15  ω     34.00 111.00   0.50    0.12    --  104.61-125.00-180.00  154
 16  ω     34.00 111.00   0.50    0.12    --  104.61-125.00-150.00  154
 17  ω     -7.00  82.00   0.50    0.12    --   49.66 -96.00 176.00  178
 18  ω     40.00 105.00   0.50    0.12    --  104.61 -96.00 176.00  130
 19  ω     41.00 106.00   0.50    0.12    --  104.61 -94.00  30.00  130
 20  ω     41.00 106.00   0.50    0.12    --  104.61 -94.00   0.00  130
 21  ω     41.00 106.00   0.50    0.12    --  104.61 -77.00-180.00  130
 22  ω     35.00  71.00   0.50    0.12    --  104.61 -61.00-180.00   72
 23  ω     35.00  71.00   0.50    0.12    --  104.61 -61.00-120.00   72
 24  ω     41.00 106.00   0.50    0.12    --  104.61 -77.00 -60.00  130
 25  ω     35.00  71.00   0.50    0.12    --  104.61 -61.00 -30.00   72
 26  ω     35.00  71.00   0.50    0.12    --  104.61 -61.00 120.00   72
 27  ω    106.00 169.00   0.50    0.12    --  104.61  96.00 -74.00  126
 28  ω     95.00 175.00   0.50    0.12    --  104.61 125.00-180.00  160
 29  ω     95.00 175.00   0.50    0.12    --  104.61 125.00-120.00  160
 30  ω     95.00 175.00   0.50    0.12    --  104.61 125.00  30.00  160
 31  ω     95.00 175.00   0.50    0.12    --  104.61 125.00  30.00  160
 32  ω     95.00 175.00   0.50    0.12    --  104.61 125.00 150.00  160
 33  ω     48.00 134.00   0.50    0.12    --   70.00  77.00  21.02  172
 34  ω     83.00 168.00   0.50    0.12    --  104.61  77.00  90.00  170
 35  ω     83.00 168.00   0.50    0.12    --  104.61  77.00  60.00  170
 36  ω     83.00 168.00   0.50    0.12    --  104.61  77.00 120.00  170
 37  ω     83.00 168.00   0.50    0.12    --  104.61  77.00 150.00  170
 38  ω     83.00 168.00   0.50    0.12    --  104.61  77.00 -30.00  170
 39  ω     83.00 168.00   0.50    0.12    --  104.61  77.00 -90.00  170
 40  ω     83.00 168.00   0.50    0.12    --  104.61  77.00-120.00  170
 41  ω     83.00 168.00   0.50    0.12    --  104.61  77.00-180.00  170
 42  ω     53.00 138.00   0.50    0.12    --   74.00  76.00-132.28  170
 43  ω     43.00 128.00   0.50    0.12    --   62.00  71.00-162.64  170
 44  ω     53.00 139.00   0.50    0.12    --   74.00  75.00 -96.57  172
 45  ω     89.00 174.00   0.50    0.12    --  104.61  61.00  30.00  170
 46  ω     89.00 174.00   0.50    0.12    --  104.61  61.00   0.00  170
 47  ω     89.00 174.00   0.50    0.12    --  104.61  61.00   0.00  170
 48  ω     93.00 178.00   0.50    0.12    --  104.61  45.00-120.00  170
 49  ω     93.00 178.00   0.50    0.12    --  104.61  45.00  60.00  170
 50  ω     89.00 174.00   0.50    0.12    --  104.61  61.00  90.00  170
 51  ω     43.00 128.00   0.50    0.12    --   62.00  71.00 139.25  170
 52  ω     42.00 128.00   0.50    0.12    --   62.00  73.00  92.38  172
 53  ω     93.00 178.00   0.50    0.12    --  104.61  45.00 -30.00  170
 54  ω     93.00 178.00   0.50    0.12    --  104.61  45.00-180.00  170
 55  ω     17.00  43.00   0.50    0.12    --   46.00  89.00-158.97   52
 56  ω     -1.00  27.00   0.50    0.12    --   34.00  98.00 -76.14   56
 57  ω     16.00  42.00   0.50    0.12    --   46.00  91.00 -51.99   52
 58  ω     -6.00  29.00   0.50    0.12    --   26.00  96.00 127.74   70
 59  ω    -13.00  27.00   0.50    0.12    --   22.00  98.00  45.04   80
 60  ω      9.00  43.00   0.50    0.12    --   38.00  90.00  57.05   68
 61  ω     17.00  43.00   0.50    0.12    --   46.00  90.00 -15.30   52
 62  ω    -79.00  16.00   0.50    0.12    --  -48.91  96.00 -74.00  190
 63  ω    -80.00 -15.00   0.50    0.12    --  -79.28  96.00 -74.00  130
 64  ω    -86.00 -13.00   0.50    0.12    --  -79.28 125.00 -30.00  146
 65  ω    -79.00  16.00   0.50    0.12    --  -48.91  96.00 -74.00  190
 66  ω    -79.00  16.00   0.50    0.12    --  -48.91  96.00 -74.00  190
 67  ω    -71.00 -10.00   0.50    0.12    --  -79.28  61.00-180.00  122
 68  ω    -27.00  25.00   0.50    0.12    --  -48.91  19.00-150.00  104
 69  ω    -35.00  -4.00   0.50    0.12    --  -79.28  30.00 -60.00   62
 70  ω    -35.00  -4.00   0.50    0.12    --  -79.28  30.00  30.00   62
 71  ω   -142.00 -56.00   0.50    0.12    --  -78.00 -76.00 134.29  172
 72  ω   -152.00 -66.00   0.50    0.12    --  -87.25 -75.00  97.89  172
 73  ω   -142.00 -56.00   0.50    0.12    --  -78.00 -76.00  50.23  172
 74  ω   -153.00 -67.00   0.50    0.12    --  -87.25 -73.00  15.47  172
 75  ω   -132.00 -47.00   0.50    0.12    --  -66.00 -71.00 -37.68  170
 76  ω   -147.00 -62.00   0.50    0.12    --  -82.00 -74.00-166.50  170
 77  ω   -155.00 -69.00   0.50    0.12    --  -87.25 -68.00-107.35  172
 78  ω   -153.00 -67.00   0.50    0.12    --  -87.25 -73.00 -65.88  172
 79  ω   -148.00 -63.00   0.50    0.12    --  -82.00 -72.00 -46.68  170
 80  ω   -144.00 -84.00   0.50    0.12    --  -79.28 -96.00 176.00  120
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  
'Rigaku Oxford Diffraction: XtaLAB Synergy, Dualflex, HyPix-Arc 100'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0962236000
_diffrn_orient_matrix_UB_12      -0.0305928000
_diffrn_orient_matrix_UB_13      0.0663106000
_diffrn_orient_matrix_UB_21      0.0758712000
_diffrn_orient_matrix_UB_22      -0.0704626000
_diffrn_orient_matrix_UB_23      0.0782338000
_diffrn_orient_matrix_UB_31      0.0050915000
_diffrn_orient_matrix_UB_32      0.0836703000
_diffrn_orient_matrix_UB_33      0.0383396000
_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              'PhotonJet (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10425
_reflns_number_total             10537
_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 1.171.44.117a (Rigaku OD, 2025)'
_computing_data_collection       
'CrysAlisPro system (CCD 44.112a 64-bit (release 21-05-2025))'
_computing_data_reduction        'CrysAlisPro 1.171.44.117a (Rigaku OD, 2025)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         0.637
_refine_diff_density_min         -0.703
_refine_diff_density_rms         0.054
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     799
_refine_ls_number_reflns         10537
_refine_ls_number_restraints     342
_refine_ls_R_factor_all          0.0245
_refine_ls_R_factor_gt           0.0243
_refine_ls_restrained_S_all      1.058
_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)+(0.0317P)²+1.8654P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0631
_refine_ls_wR_factor_ref         0.0633
_refine_special_details          .
_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 C(H,H,H) groups
2. Restrained distances
 C215-F7 \\sim C215-F8 \\sim C215-F9 \\sim C215-F7A \\sim C215-F8A \\sim
C215-F9A
 with sigma of 0.01
 F7-F8 \\sim F8-F9 \\sim F9-F7 \\sim F7A-F8A \\sim F8A-F9A \\sim F9A-F7A
 with sigma of 0.01
 C211-F7 \\sim C211-F8 \\sim C211-F9 \\sim C211-F7A \\sim C211-F8A \\sim
C211-F9A
 with sigma of 0.01
 C232-F22 \\sim C232-F23 \\sim C232-F24 \\sim C232-F22A \\sim C232-F23A \\sim
C232-F24A
 with sigma of 0.01
 F22-F23 \\sim F23-F24 \\sim F24-F22 \\sim F22A-F23A \\sim F23A-F24A \\sim
F24A-F22A
 with sigma of 0.01
 C229-F22 \\sim C229-F23 \\sim C229-F24 \\sim C229-F22A \\sim C229-F23A \\sim
C229-F24A
 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
F1 \\sim F2 \\sim F3 \\sim F4 \\sim F5 \\sim F6 \\sim F7 \\sim F7A \\sim F8
\\sim F8A \\sim F9 \\sim F9A \\sim F10 \\sim F11 \\sim F12 \\sim F13 \\sim F14
\\sim F15 \\sim F16 \\sim F17 \\sim F18 \\sim F19 \\sim F20 \\sim F21 \\sim F22
\\sim F22A \\sim F23 \\sim F23A \\sim F24 \\sim F24A: within 2A with sigma of
0.01 and sigma for terminal atoms of 0.02 within 2A
Uanis(F1) \\sim Ueq, Uanis(F2) \\sim Ueq, Uanis(F3) \\sim Ueq, Uanis(F4) \\sim
Ueq, Uanis(F5) \\sim Ueq, Uanis(F6) \\sim Ueq, Uanis(F7) \\sim Ueq, Uanis(F7A)
\\sim Ueq, Uanis(F8) \\sim Ueq, Uanis(F8A) \\sim Ueq, Uanis(F9) \\sim Ueq,
Uanis(F9A) \\sim Ueq, Uanis(F10) \\sim Ueq, Uanis(F11) \\sim Ueq, Uanis(F12)
\\sim Ueq, Uanis(F13) \\sim Ueq, Uanis(F14) \\sim Ueq, Uanis(F15) \\sim Ueq,
Uanis(F16) \\sim Ueq, Uanis(F17) \\sim Ueq, Uanis(F18) \\sim Ueq, Uanis(F19)
\\sim Ueq, Uanis(F20) \\sim Ueq, Uanis(F21) \\sim Ueq, Uanis(F22) \\sim Ueq,
Uanis(F22A) \\sim Ueq, Uanis(F23) \\sim Ueq, Uanis(F23A) \\sim Ueq, Uanis(F24)
\\sim Ueq, Uanis(F24A) \\sim Ueq: with sigma of 0.01 and sigma for terminal
atoms of 0.02
4. Others
 Sof(F7A)=Sof(F8A)=Sof(F9A)=1-FVAR(1)
 Sof(F7)=Sof(F8)=Sof(F9)=FVAR(1)
 Sof(F22A)=Sof(F23A)=Sof(F24A)=1-FVAR(2)
 Sof(F22)=Sof(F23)=Sof(F24)=FVAR(2)
5.a Secondary CH2 refined with riding coordinates:
 C28(H28A,H28B), C34(H34A,H34B)
5.b Aromatic/amide H refined with riding coordinates:
 C22(H22), C23(H23), C24(H24), C202(H202), C204(H204), C206(H206), C210(H210),
 C212(H212), C214(H214), C218(H218), C220(H220), C222(H222), C226(H226),
 C228(H228), C230(H230)
5.c Idealised Me refined as rotating group:
 C30(H30A,H30B,H30C), C31(H31A,H31B,H31C), C36(H36A,H36B,H36C), C37(H37A,H37B,
 H37C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
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 -0.01753(2) 0.77335(2) 0.20248(2) 0.01605(4) Uani 1 1 d . . . . .
Cl6 Cl 0.06744(3) 0.61222(3) 0.23978(3) 0.02587(9) Uani 1 1 d . . . . .
Cl7 Cl -0.09406(3) 0.93801(3) 0.16375(3) 0.02467(8) Uani 1 1 d . . . . .
O5 O -0.23634(11) 0.70775(13) 0.24256(11) 0.0426(4) Uani 1 1 d . . . . .
O27 O 0.11382(9) 0.83212(9) -0.06360(8) 0.0223(2) Uani 1 1 d . . . . .
O33 O 0.15106(9) 0.79051(8) 0.41488(8) 0.0208(2) Uani 1 1 d . . . . .
N2 N -0.00047(11) 0.79346(10) 0.06028(9) 0.0191(3) Uani 1 1 d . . . . .
N3 N 0.02205(10) 0.76943(9) 0.33366(9) 0.0176(3) Uani 1 1 d . . . . .
N20 N 0.12661(10) 0.81319(9) 0.17564(9) 0.0169(3) Uani 1 1 d . . . . .
C4 C -0.15538(14) 0.73173(14) 0.22840(12) 0.0267(4) Uani 1 1 d . . . . .
C21 C 0.16848(13) 0.82885(11) 0.08840(11) 0.0190(3) Uani 1 1 d . . . . .
C22 C 0.27118(13) 0.85036(12) 0.06789(12) 0.0227(3) Uani 1 1 d . . . . .
H22 H 0.301521 0.861394 0.006027 0.027 Uiso 1 1 calc R U . . .
C23 C 0.32906(13) 0.85539(13) 0.14080(13) 0.0241(3) Uani 1 1 d . . . . .
H23 H 0.399844 0.870329 0.128528 0.029 Uiso 1 1 calc R U . . .
C24 C 0.28408(13) 0.83871(12) 0.23161(12) 0.0219(3) Uani 1 1 d . . . . .
H24 H 0.322997 0.842355 0.281465 0.026 Uiso 1 1 calc R U . . .
C25 C 0.18110(12) 0.81670(11) 0.24667(11) 0.0182(3) Uani 1 1 d . . . . .
C26 C 0.09106(13) 0.81752(11) 0.02651(11) 0.0188(3) Uani 1 1 d . . . . .
C28 C 0.01872(14) 0.81455(13) -0.10182(12) 0.0244(3) Uani 1 1 d . . . . .
H28A H 0.036286 0.758506 -0.125018 0.029 Uiso 1 1 calc R U . . .
H28B H -0.009976 0.873822 -0.155153 0.029 Uiso 1 1 calc R U . . .
C29 C -0.06389(13) 0.79068(13) -0.01793(12) 0.0232(3) Uani 1 1 d . . . . .
C30 C -0.09515(16) 0.68853(15) 0.00574(13) 0.0308(4) Uani 1 1 d . . . . .
H30A H -0.031425 0.639025 0.021889 0.046 Uiso 1 1 calc R U . . .
H30B H -0.128883 0.685360 -0.049373 0.046 Uiso 1 1 calc R U . . .
H30C H -0.145263 0.675429 0.059936 0.046 Uiso 1 1 calc R U . . .
C31 C -0.16044(16) 0.87076(17) -0.03609(15) 0.0372(5) Uani 1 1 d . . . . .
H31A H -0.207328 0.856780 0.020343 0.056 Uiso 1 1 calc R U . . .
H31B H -0.199268 0.872039 -0.090490 0.056 Uiso 1 1 calc R U . . .
H31C H -0.136754 0.934921 -0.049795 0.056 Uiso 1 1 calc R U . . .
C32 C 0.11551(12) 0.79174(11) 0.33448(11) 0.0178(3) Uani 1 1 d . . . . .
C34 C 0.06447(14) 0.76214(13) 0.48509(11) 0.0229(3) Uani 1 1 d . . . . .
H34A H 0.039339 0.814996 0.511416 0.027 Uiso 1 1 calc R U . . .
H34B H 0.089216 0.700840 0.538003 0.027 Uiso 1 1 calc R U . . .
C35 C -0.02639(13) 0.74581(13) 0.43109(11) 0.0225(3) Uani 1 1 d . . . . .
C36 C -0.12624(16) 0.81858(19) 0.42897(15) 0.0425(5) Uani 1 1 d . . . . .
H36A H -0.108551 0.885901 0.403274 0.064 Uiso 1 1 calc R U . . .
H36B H -0.155580 0.805581 0.493628 0.064 Uiso 1 1 calc R U . . .
H36C H -0.179042 0.811223 0.388657 0.064 Uiso 1 1 calc R U . . .
C37 C -0.04827(19) 0.63972(16) 0.46865(14) 0.0388(5) Uani 1 1 d . . . . .
H37A H -0.104735 0.632637 0.431652 0.058 Uiso 1 1 calc R U . . .
H37B H -0.070863 0.621974 0.535573 0.058 Uiso 1 1 calc R U . . .
H37C H 0.016671 0.596070 0.462963 0.058 Uiso 1 1 calc R U . . .
F1 F 0.12101(8) 0.66316(7) 0.75971(8) 0.0307(2) Uani 1 1 d . U . . .
F2 F 0.02947(8) 0.54862(7) 0.84150(7) 0.0282(2) Uani 1 1 d . U . . .
F3 F 0.06734(8) 0.57027(7) 0.69454(7) 0.0266(2) Uani 1 1 d . U . . .
F4 F -0.11235(11) 0.98780(7) 0.70845(8) 0.0377(3) Uani 1 1 d . U . . .
F5 F -0.08624(9) 0.99266(8) 0.56491(8) 0.0330(2) Uani 1 1 d . U . . .
F6 F -0.24525(8) 1.01660(7) 0.61815(8) 0.0297(2) Uani 1 1 d . U . . .
F7 F -0.3623(9) 0.4502(5) 0.4351(5) 0.067(2) Uani 0.54(2) 1 d D U P A 1
F7A F -0.3171(13) 0.3869(4) 0.5874(4) 0.075(3) Uani 0.46(2) 1 d D U P A 2
F8 F -0.2161(4) 0.4397(5) 0.5001(9) 0.076(2) Uani 0.54(2) 1 d D U P A 1
F8A F -0.3837(5) 0.4441(6) 0.4499(6) 0.0459(16) Uani 0.46(2) 1 d D U P A 2
F9 F -0.3488(6) 0.3882(3) 0.5845(4) 0.0431(13) Uani 0.54(2) 1 d D U P A 1
F9A F -0.2238(4) 0.4554(8) 0.4668(9) 0.068(2) Uani 0.46(2) 1 d D U P A 2
F10 F -0.46969(10) 0.80100(9) 0.28677(8) 0.0418(3) Uani 1 1 d . U . . .
F11 F -0.37292(12) 0.88025(11) 0.33291(11) 0.0694(5) Uani 1 1 d . U . . .
F12 F -0.53595(12) 0.87538(10) 0.38002(9) 0.0546(4) Uani 1 1 d . U . . .
F13 F -0.76623(9) 0.81763(9) 0.61266(9) 0.0362(3) Uani 1 1 d . U . . .
F14 F -0.83523(8) 0.89100(10) 0.70838(9) 0.0416(3) Uani 1 1 d . U . . .
F15 F -0.74811(10) 0.96859(9) 0.58408(9) 0.0415(3) Uani 1 1 d . U . . .
F16 F -0.59180(9) 0.99448(8) 0.88841(8) 0.0315(2) Uani 1 1 d . U . . .
F17 F -0.49183(9) 0.86348(8) 0.97023(7) 0.0317(2) Uani 1 1 d . U . . .
F18 F -0.42600(9) 0.97039(9) 0.85029(9) 0.0394(3) Uani 1 1 d . U . . .
F19 F -0.64079(9) 0.43026(8) 0.79564(8) 0.0327(2) Uani 1 1 d . U . . .
F20 F -0.52563(10) 0.29902(9) 0.83787(10) 0.0431(3) Uani 1 1 d . U . . .
F21 F -0.62561(8) 0.33846(8) 0.94339(8) 0.0336(2) Uani 1 1 d . U . . .
F22 F -0.2923(5) 0.3191(4) 1.1057(4) 0.0406(12) Uani 0.66(3) 1 d D U P B 1
F22A F -0.2542(16) 0.4774(9) 1.0751(13) 0.042(3) Uani 0.34(3) 1 d D U P B 2
F23 F -0.1698(2) 0.3887(6) 1.0146(4) 0.0297(10) Uani 0.66(3) 1 d D U P B 1
F23A F -0.3077(13) 0.3371(15) 1.1175(8) 0.062(3) Uani 0.34(3) 1 d D U P B 2
F24 F -0.2721(7) 0.4661(5) 1.0912(5) 0.0467(14) Uani 0.66(3) 1 d D U P B 1
F24A F -0.1750(7) 0.3688(16) 1.0204(9) 0.037(3) Uani 0.34(3) 1 d D U P B 2
C201 C -0.25694(12) 0.71522(11) 0.71579(10) 0.0171(3) Uani 1 1 d . . . . .
C202 C -0.15978(12) 0.65265(11) 0.73677(11) 0.0173(3) Uani 1 1 d . . . . .
H202 H -0.159701 0.583394 0.757470 0.021 Uiso 1 1 calc R U . . .
C203 C -0.06272(12) 0.68904(11) 0.72818(11) 0.0173(3) Uani 1 1 d . . . . .
C204 C -0.05866(12) 0.78969(11) 0.69624(10) 0.0174(3) Uani 1 1 d . . . . .
H204 H 0.007149 0.814421 0.690267 0.021 Uiso 1 1 calc R U . . .
C205 C -0.15425(12) 0.85327(11) 0.67322(10) 0.0166(3) Uani 1 1 d . . . . .
C206 C -0.25042(12) 0.81713(11) 0.68251(11) 0.0175(3) Uani 1 1 d . . . . .
H206 H -0.314061 0.862567 0.665884 0.021 Uiso 1 1 calc R U . . .
C207 C 0.03850(13) 0.61791(12) 0.75586(11) 0.0202(3) Uani 1 1 d . . . . .
C208 C -0.15054(13) 0.96199(12) 0.64050(11) 0.0193(3) Uani 1 1 d . . . . .
C209 C -0.37798(12) 0.66248(12) 0.61636(11) 0.0181(3) Uani 1 1 d . . . . .
C210 C -0.34816(13) 0.57139(12) 0.60393(11) 0.0206(3) Uani 1 1 d . . . . .
H210 H -0.323652 0.515282 0.657112 0.025 Uiso 1 1 calc R U . . .
C211 C -0.35330(13) 0.56049(13) 0.51622(12) 0.0229(3) Uani 1 1 d D . . . .
C212 C -0.38708(13) 0.64085(13) 0.43610(12) 0.0226(3) Uani 1 1 d . . . . .
H212 H -0.391863 0.633392 0.376420 0.027 Uiso 1 1 calc R U . . .
C213 C -0.41349(12) 0.73204(12) 0.44615(11) 0.0210(3) Uani 1 1 d . . . . .
C214 C -0.40810(12) 0.74282(12) 0.53405(11) 0.0193(3) Uani 1 1 d . . . . .
H214 H -0.425407 0.806688 0.538194 0.023 Uiso 1 1 calc R U . . .
C215 C -0.32057(15) 0.46152(14) 0.50706(13) 0.0325(4) Uani 1 1 d D . . . .
C216 C -0.44728(14) 0.82190(14) 0.36229(12) 0.0274(4) Uani 1 1 d . . . . .
C217 C -0.46914(12) 0.75645(11) 0.73655(11) 0.0175(3) Uani 1 1 d . . . . .
C218 C -0.56769(12) 0.78150(11) 0.69161(11) 0.0185(3) Uani 1 1 d . . . . .
H218 H -0.580089 0.750838 0.648085 0.022 Uiso 1 1 calc R U . . .
C219 C -0.64785(12) 0.84996(12) 0.70891(11) 0.0195(3) Uani 1 1 d . . . . .
C220 C -0.63382(13) 0.89771(11) 0.77141(11) 0.0197(3) Uani 1 1 d . . . . .
H220 H -0.688179 0.945360 0.782119 0.024 Uiso 1 1 calc R U . . .
C221 C -0.53742(13) 0.87301(11) 0.81740(11) 0.0188(3) Uani 1 1 d . . . . .
C222 C -0.45802(12) 0.80282(11) 0.80150(11) 0.0181(3) Uani 1 1 d . . . . .
H222 H -0.393980 0.785846 0.836061 0.022 Uiso 1 1 calc R U . . .
C223 C -0.74867(14) 0.88062(13) 0.65397(13) 0.0258(3) Uani 1 1 d . . . . .
C224 C -0.51274(14) 0.92511(12) 0.88086(12) 0.0228(3) Uani 1 1 d . . . . .
C225 C -0.38574(12) 0.57233(11) 0.80593(11) 0.0179(3) Uani 1 1 d . . . . .
C226 C -0.46799(12) 0.52013(12) 0.80177(11) 0.0193(3) Uani 1 1 d . . . . .
H226 H -0.512044 0.545010 0.747640 0.023 Uiso 1 1 calc R U . . .
C227 C -0.48705(13) 0.43372(12) 0.87382(12) 0.0209(3) Uani 1 1 d . . . . .
C228 C -0.42482(13) 0.39488(12) 0.95484(12) 0.0224(3) Uani 1 1 d . . . . .
H228 H -0.437151 0.335424 1.004184 0.027 Uiso 1 1 calc R U . . .
C229 C -0.34467(13) 0.44574(12) 0.96092(11) 0.0212(3) Uani 1 1 d D . . . .
C230 C -0.32589(12) 0.53319(12) 0.88815(11) 0.0192(3) Uani 1 1 d . . . . .
H230 H -0.270712 0.566745 0.895119 0.023 Uiso 1 1 calc R U . . .
C231 C -0.56992(14) 0.37677(13) 0.86262(13) 0.0262(4) Uani 1 1 d . . . . .
C232 C -0.27132(13) 0.40610(12) 1.04346(12) 0.0256(3) Uani 1 1 d D . . . .
B200 B -0.37183(14) 0.67600(13) 0.71945(12) 0.0170(3) 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 Cl6 2.3238(4) . ?
Rh1 Cl7 2.3349(4) . ?
Rh1 N2 2.0542(13) . ?
Rh1 N3 2.0523(13) . ?
Rh1 N20 1.9826(13) . ?
Rh1 C4 1.9158(18) . ?
O5 C4 1.122(2) . ?
O27 C26 1.3136(19) . ?
O27 C28 1.472(2) . ?
O33 C32 1.3159(19) . ?
O33 C34 1.4718(19) . ?
N2 C26 1.287(2) . ?
N2 C29 1.491(2) . ?
N3 C32 1.284(2) . ?
N3 C35 1.492(2) . ?
N20 C21 1.335(2) . ?
N20 C25 1.336(2) . ?
C21 C22 1.380(2) . ?
C21 C26 1.470(2) . ?
C22 H22 0.9500 . ?
C22 C23 1.395(2) . ?
C23 H23 0.9500 . ?
C23 C24 1.396(2) . ?
C24 H24 0.9500 . ?
C24 C25 1.382(2) . ?
C25 C32 1.473(2) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C28 C29 1.559(2) . ?
C29 C30 1.522(3) . ?
C29 C31 1.525(2) . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C34 C35 1.555(2) . ?
C35 C36 1.518(3) . ?
C35 C37 1.518(3) . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
F1 C207 1.3424(19) . ?
F2 C207 1.3388(19) . ?
F3 C207 1.3417(19) . ?
F4 C208 1.3531(19) . ?
F5 C208 1.3353(19) . ?
F6 C208 1.3300(19) . ?
F7 C215 1.312(4) . ?
F7A C215 1.309(5) . ?
F8 C215 1.323(4) . ?
F8A C215 1.332(4) . ?
F9 C215 1.346(4) . ?
F9A C215 1.337(5) . ?
F10 C216 1.338(2) . ?
F11 C216 1.322(2) . ?
F12 C216 1.335(2) . ?
F13 C223 1.335(2) . ?
F14 C223 1.345(2) . ?
F15 C223 1.345(2) . ?
F16 C224 1.342(2) . ?
F17 C224 1.346(2) . ?
F18 C224 1.346(2) . ?
F19 C231 1.339(2) . ?
F20 C231 1.350(2) . ?
F21 C231 1.346(2) . ?
F22 C232 1.341(3) . ?
F22A C232 1.343(6) . ?
F23 C232 1.347(3) . ?
F23A C232 1.323(5) . ?
F24 C232 1.317(4) . ?
F24A C232 1.334(6) . ?
C201 C202 1.401(2) . ?
C201 C206 1.411(2) . ?
C201 B200 1.644(2) . ?
C202 H202 0.9500 . ?
C202 C203 1.401(2) . ?
C203 C204 1.388(2) . ?
C203 C207 1.505(2) . ?
C204 H204 0.9500 . ?
C204 C205 1.393(2) . ?
C205 C206 1.387(2) . ?
C205 C208 1.499(2) . ?
C206 H206 0.9500 . ?
C209 C210 1.403(2) . ?
C209 C214 1.400(2) . ?
C209 B200 1.641(2) . ?
C210 H210 0.9500 . ?
C210 C211 1.392(2) . ?
C211 C212 1.391(2) . ?
C211 C215 1.496(2) . ?
C212 H212 0.9500 . ?
C212 C213 1.384(2) . ?
C213 C214 1.395(2) . ?
C213 C216 1.494(2) . ?
C214 H214 0.9500 . ?
C217 C218 1.403(2) . ?
C217 C222 1.400(2) . ?
C217 B200 1.642(2) . ?
C218 H218 0.9500 . ?
C218 C219 1.392(2) . ?
C219 C220 1.392(2) . ?
C219 C223 1.497(2) . ?
C220 H220 0.9500 . ?
C220 C221 1.386(2) . ?
C221 C222 1.395(2) . ?
C221 C224 1.494(2) . ?
C222 H222 0.9500 . ?
C225 C226 1.408(2) . ?
C225 C230 1.392(2) . ?
C225 B200 1.638(2) . ?
C226 H226 0.9500 . ?
C226 C227 1.387(2) . ?
C227 C228 1.394(2) . ?
C227 C231 1.497(2) . ?
C228 H228 0.9500 . ?
C228 C229 1.381(2) . ?
C229 C230 1.401(2) . ?
C229 C232 1.496(2) . ?
C230 H230 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
Cl6 Rh1 Cl7 176.967(15) . . ?
N2 Rh1 Cl6 90.03(4) . . ?
N2 Rh1 Cl7 89.58(4) . . ?
N3 Rh1 Cl6 88.77(4) . . ?
N3 Rh1 Cl7 90.47(4) . . ?
N3 Rh1 N2 158.04(5) . . ?
N20 Rh1 Cl6 86.39(4) . . ?
N20 Rh1 Cl7 90.59(4) . . ?
N20 Rh1 N2 79.23(5) . . ?
N20 Rh1 N3 78.80(5) . . ?
C4 Rh1 Cl6 92.26(6) . . ?
C4 Rh1 Cl7 90.77(6) . . ?
C4 Rh1 N2 100.43(6) . . ?
C4 Rh1 N3 101.53(6) . . ?
C4 Rh1 N20 178.60(6) . . ?
C26 O27 C28 105.30(12) . . ?
C32 O33 C34 105.37(12) . . ?
C26 N2 Rh1 112.22(11) . . ?
C26 N2 C29 108.81(13) . . ?
C29 N2 Rh1 138.95(11) . . ?
C32 N3 Rh1 112.79(10) . . ?
C32 N3 C35 109.17(13) . . ?
C35 N3 Rh1 138.02(10) . . ?
C21 N20 Rh1 118.43(11) . . ?
C21 N20 C25 122.36(14) . . ?
C25 N20 Rh1 119.04(11) . . ?
O5 C4 Rh1 179.26(18) . . ?
N20 C21 C22 120.61(15) . . ?
N20 C21 C26 109.97(14) . . ?
C22 C21 C26 129.42(15) . . ?
C21 C22 H22 121.0 . . ?
C21 C22 C23 117.94(15) . . ?
C23 C22 H22 121.0 . . ?
C22 C23 H23 119.7 . . ?
C22 C23 C24 120.69(15) . . ?
C24 C23 H23 119.7 . . ?
C23 C24 H24 121.1 . . ?
C25 C24 C23 117.86(15) . . ?
C25 C24 H24 121.1 . . ?
N20 C25 C24 120.53(15) . . ?
N20 C25 C32 109.46(13) . . ?
C24 C25 C32 129.98(15) . . ?
O27 C26 C21 120.81(14) . . ?
N2 C26 O27 119.14(14) . . ?
N2 C26 C21 120.05(14) . . ?
O27 C28 H28A 110.5 . . ?
O27 C28 H28B 110.5 . . ?
O27 C28 C29 106.03(12) . . ?
H28A C28 H28B 108.7 . . ?
C29 C28 H28A 110.5 . . ?
C29 C28 H28B 110.5 . . ?
N2 C29 C28 100.64(13) . . ?
N2 C29 C30 110.37(14) . . ?
N2 C29 C31 109.51(14) . . ?
C30 C29 C28 111.87(14) . . ?
C30 C29 C31 112.26(16) . . ?
C31 C29 C28 111.60(15) . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C29 C31 H31A 109.5 . . ?
C29 C31 H31B 109.5 . . ?
C29 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
O33 C32 C25 121.38(14) . . ?
N3 C32 O33 118.76(14) . . ?
N3 C32 C25 119.86(14) . . ?
O33 C34 H34A 110.5 . . ?
O33 C34 H34B 110.5 . . ?
O33 C34 C35 106.20(12) . . ?
H34A C34 H34B 108.7 . . ?
C35 C34 H34A 110.5 . . ?
C35 C34 H34B 110.5 . . ?
N3 C35 C34 100.49(12) . . ?
N3 C35 C36 109.51(14) . . ?
N3 C35 C37 109.93(14) . . ?
C36 C35 C34 111.53(15) . . ?
C37 C35 C34 112.37(15) . . ?
C37 C35 C36 112.37(18) . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C35 C37 H37A 109.5 . . ?
C35 C37 H37B 109.5 . . ?
C35 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C202 C201 C206 115.73(14) . . ?
C202 C201 B200 123.60(14) . . ?
C206 C201 B200 120.44(13) . . ?
C201 C202 H202 119.0 . . ?
C201 C202 C203 122.03(14) . . ?
C203 C202 H202 119.0 . . ?
C202 C203 C207 119.49(14) . . ?
C204 C203 C202 121.04(14) . . ?
C204 C203 C207 119.46(14) . . ?
C203 C204 H204 121.1 . . ?
C203 C204 C205 117.84(14) . . ?
C205 C204 H204 121.1 . . ?
C204 C205 C208 118.05(14) . . ?
C206 C205 C204 121.07(14) . . ?
C206 C205 C208 120.86(14) . . ?
C201 C206 H206 118.9 . . ?
C205 C206 C201 122.26(14) . . ?
C205 C206 H206 118.9 . . ?
F1 C207 C203 112.13(13) . . ?
F2 C207 F1 106.78(13) . . ?
F2 C207 F3 106.62(13) . . ?
F2 C207 C203 111.88(13) . . ?
F3 C207 F1 106.44(13) . . ?
F3 C207 C203 112.58(13) . . ?
F4 C208 C205 111.56(13) . . ?
F5 C208 F4 105.45(13) . . ?
F5 C208 C205 112.61(13) . . ?
F6 C208 F4 105.96(13) . . ?
F6 C208 F5 107.10(13) . . ?
F6 C208 C205 113.60(13) . . ?
C210 C209 B200 122.46(14) . . ?
C214 C209 C210 115.79(14) . . ?
C214 C209 B200 121.67(14) . . ?
C209 C210 H210 118.9 . . ?
C211 C210 C209 122.16(15) . . ?
C211 C210 H210 118.9 . . ?
C210 C211 C215 119.90(15) . . ?
C212 C211 C210 120.93(15) . . ?
C212 C211 C215 119.17(15) . . ?
C211 C212 H212 121.1 . . ?
C213 C212 C211 117.84(15) . . ?
C213 C212 H212 121.1 . . ?
C212 C213 C214 121.13(15) . . ?
C212 C213 C216 120.55(15) . . ?
C214 C213 C216 118.31(15) . . ?
C209 C214 H214 119.0 . . ?
C213 C214 C209 122.06(15) . . ?
C213 C214 H214 119.0 . . ?
F7 C215 F8 107.4(4) . . ?
F7 C215 F9 105.3(4) . . ?
F7 C215 C211 114.6(3) . . ?
F7A C215 F8A 107.0(4) . . ?
F7A C215 F9A 106.3(4) . . ?
F7A C215 C211 114.9(4) . . ?
F8 C215 F9 104.3(4) . . ?
F8 C215 C211 112.5(3) . . ?
F8A C215 F9A 104.4(4) . . ?
F8A C215 C211 112.4(3) . . ?
F9 C215 C211 111.9(3) . . ?
F9A C215 C211 111.2(4) . . ?
F10 C216 C213 113.09(15) . . ?
F11 C216 F10 105.74(16) . . ?
F11 C216 F12 107.73(18) . . ?
F11 C216 C213 112.42(14) . . ?
F12 C216 F10 104.88(14) . . ?
F12 C216 C213 112.44(15) . . ?
C218 C217 B200 124.17(14) . . ?
C222 C217 C218 115.61(14) . . ?
C222 C217 B200 120.19(13) . . ?
C217 C218 H218 119.0 . . ?
C219 C218 C217 121.93(15) . . ?
C219 C218 H218 119.0 . . ?
C218 C219 C220 121.52(15) . . ?
C218 C219 C223 120.33(15) . . ?
C220 C219 C223 117.94(15) . . ?
C219 C220 H220 121.3 . . ?
C221 C220 C219 117.38(15) . . ?
C221 C220 H220 121.3 . . ?
C220 C221 C222 121.01(15) . . ?
C220 C221 C224 121.02(15) . . ?
C222 C221 C224 117.86(14) . . ?
C217 C222 H222 118.8 . . ?
C221 C222 C217 122.48(14) . . ?
C221 C222 H222 118.8 . . ?
F13 C223 F14 106.60(14) . . ?
F13 C223 F15 106.41(15) . . ?
F13 C223 C219 113.64(14) . . ?
F14 C223 C219 112.50(15) . . ?
F15 C223 F14 105.87(14) . . ?
F15 C223 C219 111.31(14) . . ?
F16 C224 F17 105.90(13) . . ?
F16 C224 F18 106.48(14) . . ?
F16 C224 C221 113.69(14) . . ?
F17 C224 F18 105.72(14) . . ?
F17 C224 C221 112.65(14) . . ?
F18 C224 C221 111.82(13) . . ?
C226 C225 B200 119.08(14) . . ?
C230 C225 C226 115.86(14) . . ?
C230 C225 B200 124.94(14) . . ?
C225 C226 H226 118.8 . . ?
C227 C226 C225 122.39(15) . . ?
C227 C226 H226 118.8 . . ?
C226 C227 C228 120.76(15) . . ?
C226 C227 C231 120.29(15) . . ?
C228 C227 C231 118.81(15) . . ?
C227 C228 H228 121.1 . . ?
C229 C228 C227 117.76(15) . . ?
C229 C228 H228 121.1 . . ?
C228 C229 C230 121.32(15) . . ?
C228 C229 C232 120.80(15) . . ?
C230 C229 C232 117.80(15) . . ?
C225 C230 C229 121.90(15) . . ?
C225 C230 H230 119.1 . . ?
C229 C230 H230 119.1 . . ?
F19 C231 F20 106.27(15) . . ?
F19 C231 F21 106.90(14) . . ?
F19 C231 C227 113.38(14) . . ?
F20 C231 C227 111.35(14) . . ?
F21 C231 F20 105.40(14) . . ?
F21 C231 C227 112.98(15) . . ?
F22 C232 F23 105.0(3) . . ?
F22 C232 C229 112.8(3) . . ?
F22A C232 C229 111.5(5) . . ?
F23 C232 C229 111.0(3) . . ?
F23A C232 F22A 106.2(5) . . ?
F23A C232 F24A 107.7(5) . . ?
F23A C232 C229 113.6(4) . . ?
F24 C232 F22 107.4(3) . . ?
F24 C232 F23 106.4(3) . . ?
F24 C232 C229 113.7(3) . . ?
F24A C232 F22A 105.1(5) . . ?
F24A C232 C229 112.2(5) . . ?
C209 B200 C201 104.48(12) . . ?
C209 B200 C217 112.69(13) . . ?
C217 B200 C201 110.03(12) . . ?
C225 B200 C201 114.96(13) . . ?
C225 B200 C209 110.09(13) . . ?
C225 B200 C217 104.82(12) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Rh1 N2 C26 O27 179.49(11) . . . . ?
Rh1 N2 C26 C21 -0.82(18) . . . . ?
Rh1 N2 C29 C28 -179.11(12) . . . . ?
Rh1 N2 C29 C30 -60.8(2) . . . . ?
Rh1 N2 C29 C31 63.3(2) . . . . ?
Rh1 N3 C32 O33 -179.01(10) . . . . ?
Rh1 N3 C32 C25 0.16(18) . . . . ?
Rh1 N3 C35 C34 179.08(12) . . . . ?
Rh1 N3 C35 C36 -63.4(2) . . . . ?
Rh1 N3 C35 C37 60.5(2) . . . . ?
Rh1 N20 C21 C22 -175.73(12) . . . . ?
Rh1 N20 C21 C26 3.24(16) . . . . ?
Rh1 N20 C25 C24 176.30(12) . . . . ?
Rh1 N20 C25 C32 -2.11(16) . . . . ?
O27 C28 C29 N2 -2.59(16) . . . . ?
O27 C28 C29 C30 -119.78(15) . . . . ?
O27 C28 C29 C31 113.50(15) . . . . ?
O33 C34 C35 N3 -0.83(16) . . . . ?
O33 C34 C35 C36 -116.81(16) . . . . ?
O33 C34 C35 C37 115.99(16) . . . . ?
N20 C21 C22 C23 -0.2(2) . . . . ?
N20 C21 C26 O27 178.19(13) . . . . ?
N20 C21 C26 N2 -1.5(2) . . . . ?
N20 C25 C32 O33 -179.63(13) . . . . ?
N20 C25 C32 N3 1.2(2) . . . . ?
C21 N20 C25 C24 1.1(2) . . . . ?
C21 N20 C25 C32 -177.32(13) . . . . ?
C21 C22 C23 C24 0.3(2) . . . . ?
C22 C21 C26 O27 -3.0(3) . . . . ?
C22 C21 C26 N2 177.35(16) . . . . ?
C22 C23 C24 C25 0.3(2) . . . . ?
C23 C24 C25 N20 -1.0(2) . . . . ?
C23 C24 C25 C32 177.07(15) . . . . ?
C24 C25 C32 O33 2.2(3) . . . . ?
C24 C25 C32 N3 -177.00(16) . . . . ?
C25 N20 C21 C22 -0.5(2) . . . . ?
C25 N20 C21 C26 178.47(13) . . . . ?
C26 O27 C28 C29 1.83(16) . . . . ?
C26 N2 C29 C28 2.56(16) . . . . ?
C26 N2 C29 C30 120.85(15) . . . . ?
C26 N2 C29 C31 -115.08(17) . . . . ?
C26 C21 C22 C23 -178.93(16) . . . . ?
C28 O27 C26 N2 -0.16(19) . . . . ?
C28 O27 C26 C21 -179.85(14) . . . . ?
C29 N2 C26 O27 -1.7(2) . . . . ?
C29 N2 C26 C21 178.00(14) . . . . ?
C32 O33 C34 C35 0.81(16) . . . . ?
C32 N3 C35 C34 0.59(16) . . . . ?
C32 N3 C35 C36 118.07(17) . . . . ?
C32 N3 C35 C37 -118.02(16) . . . . ?
C34 O33 C32 N3 -0.47(18) . . . . ?
C34 O33 C32 C25 -179.63(14) . . . . ?
C35 N3 C32 O33 -0.10(19) . . . . ?
C35 N3 C32 C25 179.07(13) . . . . ?
C201 C202 C203 C204 -1.4(2) . . . . ?
C201 C202 C203 C207 177.35(14) . . . . ?
C202 C201 C206 C205 -1.5(2) . . . . ?
C202 C201 B200 C209 -83.01(17) . . . . ?
C202 C201 B200 C217 155.78(14) . . . . ?
C202 C201 B200 C225 37.7(2) . . . . ?
C202 C203 C204 C205 0.1(2) . . . . ?
C202 C203 C207 F1 -168.93(14) . . . . ?
C202 C203 C207 F2 -48.98(19) . . . . ?
C202 C203 C207 F3 71.07(18) . . . . ?
C203 C204 C205 C206 0.4(2) . . . . ?
C203 C204 C205 C208 178.83(13) . . . . ?
C204 C203 C207 F1 9.9(2) . . . . ?
C204 C203 C207 F2 129.81(15) . . . . ?
C204 C203 C207 F3 -110.14(16) . . . . ?
C204 C205 C206 C201 0.3(2) . . . . ?
C204 C205 C208 F4 -61.77(19) . . . . ?
C204 C205 C208 F5 56.57(19) . . . . ?
C204 C205 C208 F6 178.54(13) . . . . ?
C206 C201 C202 C203 2.0(2) . . . . ?
C206 C201 B200 C209 91.37(16) . . . . ?
C206 C201 B200 C217 -29.84(19) . . . . ?
C206 C201 B200 C225 -147.87(14) . . . . ?
C206 C205 C208 F4 116.65(16) . . . . ?
C206 C205 C208 F5 -125.00(15) . . . . ?
C206 C205 C208 F6 -3.0(2) . . . . ?
C207 C203 C204 C205 -178.64(13) . . . . ?
C208 C205 C206 C201 -178.08(14) . . . . ?
C209 C210 C211 C212 1.0(3) . . . . ?
C209 C210 C211 C215 -179.94(15) . . . . ?
C210 C209 C214 C213 3.3(2) . . . . ?
C210 C209 B200 C201 96.13(16) . . . . ?
C210 C209 B200 C217 -144.45(15) . . . . ?
C210 C209 B200 C225 -27.8(2) . . . . ?
C210 C211 C212 C213 1.1(2) . . . . ?
C210 C211 C215 F7 156.7(6) . . . . ?
C210 C211 C215 F7A 18.1(8) . . . . ?
C210 C211 C215 F8 -80.2(6) . . . . ?
C210 C211 C215 F8A 140.7(5) . . . . ?
C210 C211 C215 F9 36.9(4) . . . . ?
C210 C211 C215 F9A -102.6(6) . . . . ?
C211 C212 C213 C214 -1.0(2) . . . . ?
C211 C212 C213 C216 178.18(15) . . . . ?
C212 C211 C215 F7 -24.3(6) . . . . ?
C212 C211 C215 F7A -162.8(8) . . . . ?
C212 C211 C215 F8 98.9(6) . . . . ?
C212 C211 C215 F8A -40.2(5) . . . . ?
C212 C211 C215 F9 -144.0(4) . . . . ?
C212 C211 C215 F9A 76.4(6) . . . . ?
C212 C213 C214 C209 -1.3(2) . . . . ?
C212 C213 C216 F10 13.1(2) . . . . ?
C212 C213 C216 F11 -106.6(2) . . . . ?
C212 C213 C216 F12 131.65(17) . . . . ?
C214 C209 C210 C211 -3.1(2) . . . . ?
C214 C209 B200 C201 -80.37(17) . . . . ?
C214 C209 B200 C217 39.1(2) . . . . ?
C214 C209 B200 C225 155.69(14) . . . . ?
C214 C213 C216 F10 -167.69(15) . . . . ?
C214 C213 C216 F11 72.7(2) . . . . ?
C214 C213 C216 F12 -49.1(2) . . . . ?
C215 C211 C212 C213 -177.91(15) . . . . ?
C216 C213 C214 C209 179.52(15) . . . . ?
C217 C218 C219 C220 0.5(2) . . . . ?
C217 C218 C219 C223 175.19(15) . . . . ?
C218 C217 C222 C221 -3.0(2) . . . . ?
C218 C217 B200 C201 140.51(15) . . . . ?
C218 C217 B200 C209 24.4(2) . . . . ?
C218 C217 B200 C225 -95.37(17) . . . . ?
C218 C219 C220 C221 -1.3(2) . . . . ?
C218 C219 C223 F13 19.2(2) . . . . ?
C218 C219 C223 F14 140.45(16) . . . . ?
C218 C219 C223 F15 -100.92(18) . . . . ?
C219 C220 C221 C222 -0.1(2) . . . . ?
C219 C220 C221 C224 176.04(14) . . . . ?
C220 C219 C223 F13 -165.92(15) . . . . ?
C220 C219 C223 F14 -44.7(2) . . . . ?
C220 C219 C223 F15 73.96(19) . . . . ?
C220 C221 C222 C217 2.4(2) . . . . ?
C220 C221 C224 F16 0.7(2) . . . . ?
C220 C221 C224 F17 121.18(16) . . . . ?
C220 C221 C224 F18 -119.92(17) . . . . ?
C222 C217 C218 C219 1.6(2) . . . . ?
C222 C217 B200 C201 -41.47(18) . . . . ?
C222 C217 B200 C209 -157.62(14) . . . . ?
C222 C217 B200 C225 82.66(16) . . . . ?
C222 C221 C224 F16 177.00(13) . . . . ?
C222 C221 C224 F17 -62.52(19) . . . . ?
C222 C221 C224 F18 56.4(2) . . . . ?
C223 C219 C220 C221 -176.08(14) . . . . ?
C224 C221 C222 C217 -173.91(14) . . . . ?
C225 C226 C227 C228 0.4(2) . . . . ?
C225 C226 C227 C231 -175.19(15) . . . . ?
C226 C225 C230 C229 1.7(2) . . . . ?
C226 C225 B200 C201 -164.21(14) . . . . ?
C226 C225 B200 C209 -46.58(19) . . . . ?
C226 C225 B200 C217 74.87(17) . . . . ?
C226 C227 C228 C229 0.5(2) . . . . ?
C226 C227 C231 F19 -19.5(2) . . . . ?
C226 C227 C231 F20 100.33(18) . . . . ?
C226 C227 C231 F21 -141.28(15) . . . . ?
C227 C228 C229 C230 -0.3(2) . . . . ?
C227 C228 C229 C232 -177.03(15) . . . . ?
C228 C227 C231 F19 164.86(15) . . . . ?
C228 C227 C231 F20 -75.4(2) . . . . ?
C228 C227 C231 F21 43.0(2) . . . . ?
C228 C229 C230 C225 -0.9(2) . . . . ?
C228 C229 C232 F22 0.9(4) . . . . ?
C228 C229 C232 F22A -137.2(12) . . . . ?
C228 C229 C232 F23 118.5(5) . . . . ?
C228 C229 C232 F23A -17.3(14) . . . . ?
C228 C229 C232 F24 -121.6(5) . . . . ?
C228 C229 C232 F24A 105.1(11) . . . . ?
C230 C225 C226 C227 -1.5(2) . . . . ?
C230 C225 B200 C201 20.0(2) . . . . ?
C230 C225 B200 C209 137.60(15) . . . . ?
C230 C225 B200 C217 -100.95(17) . . . . ?
C230 C229 C232 F22 -175.9(4) . . . . ?
C230 C229 C232 F22A 46.0(12) . . . . ?
C230 C229 C232 F23 -58.4(5) . . . . ?
C230 C229 C232 F23A 165.9(14) . . . . ?
C230 C229 C232 F24 61.5(6) . . . . ?
C230 C229 C232 F24A -71.7(11) . . . . ?
C231 C227 C228 C229 176.18(15) . . . . ?
C232 C229 C230 C225 175.96(15) . . . . ?
B200 C201 C202 C203 176.64(14) . . . . ?
B200 C201 C206 C205 -176.28(14) . . . . ?
B200 C209 C210 C211 -179.82(15) . . . . ?
B200 C209 C214 C213 179.96(14) . . . . ?
B200 C217 C218 C219 179.71(14) . . . . ?
B200 C217 C222 C221 178.79(14) . . . . ?
B200 C225 C226 C227 -177.70(14) . . . . ?
B200 C225 C230 C229 177.67(15) . . . . ?

_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 3.844
_oxdiff_exptl_absorpt_empirical_full_min 0.737
