# Supplementary Information (SI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 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_cc-2-18
_database_code_depnum_ccdc_archive 'CCDC 2520772'
loop_
_audit_author_name
_audit_author_address
'Tilo Soehnel'
;University of Auckland
New Zealand
;
_audit_update_record             
;
2026-01-06 deposited with the CCDC.	2026-05-20 downloaded from the CCDC.
;
_audit_creation_date             2026-01-06
_audit_creation_method           
;
Olex2 1.5
(compiled 2025.07.13 svn.rb7424aed for OlexSys, GUI svn.r7314)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C27 H35 Cl N3 O4 Rh, 0.5(H2 O)'
_chemical_formula_sum            'C27 H36 Cl N3 O4.50 Rh'
_chemical_formula_weight         612.95
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C27 H35 Cl N3 O4 Rh '
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   21.6982(3)
_cell_length_b                   14.3489(3)
_cell_length_c                   8.99650(15)
_cell_angle_alpha                90
_cell_angle_beta                 98.2961(15)
_cell_angle_gamma                90
_cell_volume                     2771.70(9)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    8764
_cell_measurement_temperature    120.0(1)
_cell_measurement_theta_max      71.8850
_cell_measurement_theta_min      3.6850
_shelx_estimated_absorpt_T_max   0.747
_shelx_estimated_absorpt_T_min   0.512
_exptl_absorpt_coefficient_mu    6.188
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.51670
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.84a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'dark orange'
_exptl_crystal_colour_lustre     .
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.469
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1268
_exptl_crystal_recrystallization_method Acetone
_exptl_crystal_size_max          0.125
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0619
_diffrn_reflns_av_unetI/netI     0.0494
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            22355
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         67.736
_diffrn_reflns_theta_min         3.705
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      120.0(1)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 5.8140
_diffrn_detector_type            'Pilatus 200K'
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -44.00  -4.00   0.50    2.28    --  -47.23  71.00  57.00   80
  2  ω    -43.00  31.00   0.50    2.28    --  -47.23  38.00 -30.00  148
  3  ω    -47.00 -14.00   0.50    9.12    --  -90.25  45.00  30.00   66
  4  ω    -50.00 -16.00   0.50    9.12    --  -90.25  45.00   0.00   68
  5  ω    -43.00 -16.00   0.50    9.12    --  -90.25 111.00 -60.00   54
  6  ω    -50.00 -19.00   0.50    9.12    --  -90.25 111.00 -30.00   62
  7  ω    -75.00 -17.00   0.50    9.12    --  -90.25  71.00  57.00  116
  8  ω    -69.00 -21.00   0.50    9.12    --  -90.25  61.00  30.00   96
  9  ω    -83.00 -56.00   0.50    9.12    --  -90.25 111.00 -30.00   54
 10  ω    -83.00 -54.00   0.50    9.12    --  -90.25 111.00 -60.00   58
 11  ω    -42.00 -12.00   0.50    9.12    --  -90.25  45.00-150.00   60
 12  ω    -46.00 -12.00   0.50    9.12    --  -90.25  45.00-180.00   68
 13  ω    -51.00 -26.00   0.50    9.12    --  -90.25  45.00-120.00   50
 14  ω    -86.00 -60.00   0.50    2.28    --  -47.23 -71.00 -73.00   52
 15  ω      1.00  72.00   0.50    2.28    --   47.23 -71.00 -73.00  142
 16  ω     43.00  69.00   0.50    9.12    --   97.33 -71.00 -73.00   52
 17  ω     25.00  51.00   0.50    9.12    --   97.33 -61.00-150.00   52
 18  ω     20.00  45.00   0.50    9.12    --   97.33 -45.00-120.00   50
 19  ω     20.00  47.00   0.50    9.12    --   97.33 -45.00 -60.00   54
 20  ω     22.00  51.00   0.50    9.12    --   97.33 -45.00-150.00   58
 21  ω     98.00 123.00   0.50    9.12    --   97.33  71.00  57.00   50
 22  ω    104.00 133.00   0.50    9.12    --   97.33 111.00 -60.00   58
 23  ω    149.00 175.00   0.50    9.12    --   97.33 111.00-150.00   52
 24  ω    102.00 135.00   0.50    9.12    --   97.33 111.00-150.00   66
 25  ω     20.00  46.00   0.50    9.12    --   97.33 -45.00  60.00   52
 26  ω     21.00  47.00   0.50    9.12    --   97.33 -45.00 120.00   52
 27  ω     45.00 105.00   0.50    9.12    --   97.33 -77.00  90.00  120
 28  ω   -118.00 -75.00   0.50    2.28    --  -47.23-125.00   0.00   86
 29  ω   -123.00 -75.00   0.50    2.28    --  -47.23-125.00 -30.00   96
 30  ω   -119.00 -83.00   0.50    2.28    --  -47.23-125.00-150.00   72
 31  ω   -147.00 -65.00   0.50    9.12    --  -90.25 -77.00 -90.00  164
 32  ω   -154.00 -64.00   0.50    9.12    --  -90.25 -77.00 150.00  180
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, Pilatus 200K'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0399141000
_diffrn_orient_matrix_UB_12      0.0849859000
_diffrn_orient_matrix_UB_13      0.0292978000
_diffrn_orient_matrix_UB_21      -0.0389070000
_diffrn_orient_matrix_UB_22      -0.0124725000
_diffrn_orient_matrix_UB_23      -0.1560229000
_diffrn_orient_matrix_UB_31      -0.0451659000
_diffrn_orient_matrix_UB_32      -0.0644317000
_diffrn_orient_matrix_UB_33      0.0688837000
_diffrn_oxdiff_digest_hkl        
;
016fd643b88d4aa48f5ea2f82a650005196cb1
;
_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                4081
_reflns_number_total             5020
_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 1.171.40.84a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.40.84a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.40.84a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS  (Sheldrick, 2008)'
_refine_diff_density_max         1.216
_refine_diff_density_min         -1.912
_refine_diff_density_rms         0.090
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     389
_refine_ls_number_reflns         5020
_refine_ls_number_restraints     105
_refine_ls_R_factor_all          0.0672
_refine_ls_R_factor_gt           0.0535
_refine_ls_restrained_S_all      1.068
_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)+(0.0417P)²+8.9452P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1244
_refine_ls_wR_factor_ref         0.1323
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, {H29A,H29B,H29C} of C29, {H30A,H30B,H30C} of C30, All C(H,
  H) groups, All N(H) groups
 At 1.5 times of:
  All O(H) groups, {H33A,H33B,H33C} of C33, {H31A,H31B,H31C} of C31, {H32A,
  H32B,H32C} of C32, {H39C,H39A,H39B} of C39, {H40B,H40A,H40C} of C40, {H41A,
  H41B,H41C} of C41, {H42A,H42B,H42C} of C42, {H43A,H43B,H43C} of C43, All O(H,
  H) groups
2. Restrained distances
 Rh1-Cl1 \\sim Rh1A-Cl1A
 with sigma of 0.001
 Rh1-O1 \\sim Rh1A-O1A
 with sigma of 0.001
 Rh1-N1 \\sim Rh1A-N1
 with sigma of 0.001
3. Uiso/Uaniso restraints and constraints
C29 \\sim C30 \\sim C31 \\sim C32 \\sim C33 \\sim C39 \\sim C40 \\sim C41 \\sim
C42 \\sim C43: within 2A with sigma of 0.005 and sigma for terminal atoms of
0.01 within 2A
Uanis(C29) \\sim Ueq, Uanis(C30) \\sim Ueq, Uanis(C31) \\sim Ueq, Uanis(C32)
\\sim Ueq, Uanis(C33) \\sim Ueq, Uanis(C39) \\sim Ueq, Uanis(C40) \\sim Ueq,
Uanis(C41) \\sim Ueq, Uanis(C42) \\sim Ueq, Uanis(C43) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.02
Uanis(Rh1) = Uanis(Rh1A)
Uanis(Cl1) = Uanis(Cl1)
Uanis(O1) = Uanis(O1A)
Uanis(C24) = Uanis(C25) = Uanis(C26) = Uanis(C27) = Uanis(C28) = Uanis(C34) =
Uanis(C35) = Uanis(C36) = Uanis(C37) = Uanis(C38)
Uanis(O10) = Uanis(O11)
4. Others
 Sof(C24)=Sof(C25)=Sof(C26)=Sof(C27)=Sof(C28)=Sof(C29)=Sof(H29A)=Sof(H29B)=
 Sof(H29C)=Sof(C30)=Sof(H30A)=Sof(H30B)=Sof(H30C)=Sof(C31)=Sof(H31A)=Sof(H31B)=
 Sof(H31C)=Sof(C32)=Sof(H32A)=Sof(H32B)=Sof(H32C)=Sof(C33)=Sof(H33A)=Sof(H33B)=
 Sof(H33C)=Sof(Cl1)=Sof(O1)=Sof(Rh1)=1-FVAR(1)
 Sof(C34)=Sof(C35)=Sof(C36)=Sof(C37)=Sof(C38)=Sof(C39)=Sof(H39C)=Sof(H39A)=
 Sof(H39B)=Sof(C40)=Sof(H40B)=Sof(H40A)=Sof(H40C)=Sof(C41)=Sof(H41A)=Sof(H41B)=
 Sof(H41C)=Sof(C42)=Sof(H42A)=Sof(H42B)=Sof(H42C)=Sof(C43)=Sof(H43A)=Sof(H43B)=
 Sof(H43C)=Sof(Cl1A)=Sof(O1A)=Sof(Rh1A)=FVAR(1)
 Sof(O11)=Sof(H11A)=Sof(H11B)=0.5*(1-FVAR(3))
 Sof(O10)=Sof(H10A)=Sof(H10B)=0.5*FVAR(3)
5.a Free rotating group:
 O11(H11A,H11B), O10(H10A,H10B)
5.b Secondary CH2 refined with riding coordinates:
 C13(H13A,H13B), C14(H14A,H14B), C15(H15A,H15B), C16(H16A,H16B), C17(H17A,
 H17B), C18(H18A,H18B)
5.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C6(H6), C7(H7), N11(H11), N20(H20)
5.d Fitted pentagon refined as free rotating group:
 C24(C25,C26,C27,C28), C34(C35,C36,C37,C38)
5.e Idealised Me refined as rotating group:
 C29(H29A,H29B,H29C), C30(H30A,H30B,H30C), C31(H31A,H31B,H31C), C32(H32A,H32B,
 H32C), C33(H33A,H33B,H33C), C39(H39C,H39A,H39B), C40(H40B,H40A,H40C), C41(H41A,
 H41B,H41C), C42(H42A,H42B,H42C), C43(H43A,H43B,H43C)
5.f Idealised tetrahedral OH refined as rotating group:
 O21(H21)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_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
C2 C 0.20844(19) 0.7697(3) 0.2261(5) 0.0334(10) Uani 1 1 d . . . . .
H2 H 0.170289 0.751767 0.167565 0.040 Uiso 1 1 calc R U . . .
C3 C 0.25760(19) 0.7047(3) 0.2471(5) 0.0333(10) Uani 1 1 d . . . . .
H3 H 0.252526 0.644442 0.203321 0.040 Uiso 1 1 calc R U . . .
C4 C 0.31286(19) 0.7295(3) 0.3316(5) 0.0314(10) Uani 1 1 d . . . . .
H4 H 0.346335 0.686347 0.347773 0.038 Uiso 1 1 calc R U . . .
C5 C 0.3743(2) 0.8531(4) 0.4861(5) 0.0380(11) Uani 1 1 d . . . . .
C6 C 0.3746(2) 0.9409(4) 0.5458(6) 0.0507(14) Uani 1 1 d . . . . .
H6 H 0.410839 0.961733 0.609029 0.061 Uiso 1 1 calc R U . . .
C7 C 0.3235(3) 1.0011(5) 0.5171(7) 0.0635(17) Uani 1 1 d . . . . .
H7 H 0.325373 1.061164 0.562098 0.076 Uiso 1 1 calc R U . . .
C8 C 0.2698(2) 0.9736(4) 0.4230(7) 0.0547(15) Uani 1 1 d . . . . .
C9 C 0.2682(2) 0.8821(4) 0.3661(5) 0.0385(11) Uani 1 1 d . . . . .
C10 C 0.31966(19) 0.8200(3) 0.3944(5) 0.0331(10) Uani 1 1 d . . . . .
C12 C 0.46168(19) 0.7739(4) 0.6403(5) 0.0371(11) Uani 1 1 d . . . . .
C13 C 0.5114(2) 0.7007(5) 0.6323(5) 0.0550(16) Uani 1 1 d . . . . .
H13A H 0.517760 0.692442 0.526332 0.066 Uiso 1 1 calc R U . . .
H13B H 0.551114 0.722468 0.689709 0.066 Uiso 1 1 calc R U . . .
C14 C 0.4940(3) 0.6083(6) 0.6945(6) 0.077(2) Uani 1 1 d . . . . .
H14A H 0.490332 0.616108 0.802211 0.092 Uiso 1 1 calc R U . . .
H14B H 0.527955 0.563143 0.687329 0.092 Uiso 1 1 calc R U . . .
C15 C 0.4330(3) 0.5679(5) 0.6137(7) 0.0663(19) Uani 1 1 d . . . . .
H15A H 0.398261 0.608561 0.633519 0.080 Uiso 1 1 calc R U . . .
H15B H 0.434334 0.568911 0.504174 0.080 Uiso 1 1 calc R U . . .
C16 C 0.4196(4) 0.4692(5) 0.6597(8) 0.078(2) Uani 1 1 d . . . . .
H16A H 0.455222 0.428824 0.645107 0.093 Uiso 1 1 calc R U . . .
H16B H 0.415560 0.468502 0.767933 0.093 Uiso 1 1 calc R U . . .
C17 C 0.3613(4) 0.4303(6) 0.5718(10) 0.087(3) Uani 1 1 d . . . . .
H17A H 0.363518 0.437027 0.463161 0.105 Uiso 1 1 calc R U . . .
H17B H 0.325122 0.466885 0.594590 0.105 Uiso 1 1 calc R U . . .
C18 C 0.3511(3) 0.3271(6) 0.6070(9) 0.079(2) Uani 1 1 d . . . . .
H18A H 0.390006 0.292290 0.600461 0.095 Uiso 1 1 calc R U . . .
H18B H 0.341977 0.321732 0.711307 0.095 Uiso 1 1 calc R U . . .
C19 C 0.2990(5) 0.2837(7) 0.5026(9) 0.095(3) Uani 1 1 d . . . . .
N1 N 0.21298(16) 0.8532(3) 0.2834(4) 0.0370(9) Uani 1 1 d D . . . .
N11 N 0.42730(16) 0.7936(3) 0.5086(4) 0.0377(9) Uani 1 1 d . . . . .
H11 H 0.438478 0.767366 0.428204 0.045 Uiso 1 1 calc R U . . .
N20 N 0.2627(3) 0.2269(5) 0.5708(7) 0.0794(19) Uani 1 1 d . . . . .
H20 H 0.274003 0.212759 0.665983 0.095 Uiso 1 1 calc R U . . .
O21 O 0.2073(3) 0.1896(5) 0.4953(9) 0.142(3) Uani 1 1 d . . . . .
H21 H 0.215439 0.143338 0.444371 0.212 Uiso 1 1 calc R U . . .
O22 O 0.2906(5) 0.2990(6) 0.3676(6) 0.162(4) Uani 1 1 d . . . . .
O23 O 0.45277(13) 0.8099(3) 0.7604(3) 0.0398(8) Uani 1 1 d . . . . .
C24 C 0.1044(3) 0.9370(3) 0.0333(6) 0.0371(7) Uani 0.645(2) 1 d G . P A 1
C25 C 0.1302(2) 1.0281(3) 0.0434(6) 0.0371(7) Uani 0.645(2) 1 d G . P A 1
C26 C 0.1001(2) 1.0799(3) 0.1468(6) 0.0371(7) Uani 0.645(2) 1 d G . P A 1
C27 C 0.0558(2) 1.0207(4) 0.2007(5) 0.0371(7) Uani 0.645(2) 1 d G . P A 1
C28 C 0.0584(2) 0.9324(3) 0.1305(7) 0.0371(7) Uani 0.645(2) 1 d G . P A 1
C29 C 0.1224(6) 0.8653(11) -0.0748(11) 0.077(4) Uani 0.645(2) 1 d . U P A 1
H29A H 0.167891 0.859140 -0.061476 0.093 Uiso 0.645(2) 1 calc R U P A 1
H29B H 0.107424 0.884960 -0.178026 0.093 Uiso 0.645(2) 1 calc R U P A 1
H29C H 0.103772 0.805140 -0.055363 0.093 Uiso 0.645(2) 1 calc R U P A 1
C30 C 0.1792(5) 1.0648(10) -0.0448(13) 0.088(3) Uani 0.645(2) 1 d . U P A 1
H30A H 0.189129 1.016948 -0.115360 0.106 Uiso 0.645(2) 1 calc R U P A 1
H30B H 0.216878 1.080647 0.024433 0.106 Uiso 0.645(2) 1 calc R U P A 1
H30C H 0.163449 1.120588 -0.100577 0.106 Uiso 0.645(2) 1 calc R U P A 1
C31 C 0.1134(6) 1.1798(7) 0.1913(13) 0.080(3) Uani 0.645(2) 1 d . U P A 1
H31A H 0.087617 1.220991 0.121137 0.119 Uiso 0.645(2) 1 calc R U P A 1
H31B H 0.157526 1.193377 0.188649 0.119 Uiso 0.645(2) 1 calc R U P A 1
H31C H 0.103833 1.190008 0.293222 0.119 Uiso 0.645(2) 1 calc R U P A 1
C32 C 0.0132(4) 1.0497(7) 0.3082(10) 0.056(2) Uani 0.645(2) 1 d . U P A 1
H32A H -0.004357 0.994199 0.349805 0.084 Uiso 0.645(2) 1 calc R U P A 1
H32B H -0.020524 1.087916 0.255793 0.084 Uiso 0.645(2) 1 calc R U P A 1
H32C H 0.036590 1.085970 0.389920 0.084 Uiso 0.645(2) 1 calc R U P A 1
C33 C 0.0184(4) 0.8498(6) 0.1534(10) 0.052(2) Uani 0.645(2) 1 d . U P A 1
H33A H 0.037553 0.793207 0.119834 0.078 Uiso 0.645(2) 1 calc R U P A 1
H33B H -0.022995 0.858206 0.095101 0.078 Uiso 0.645(2) 1 calc R U P A 1
H33C H 0.014524 0.844145 0.260216 0.078 Uiso 0.645(2) 1 calc R U P A 1
Cl1 Cl 0.12567(15) 0.9070(2) 0.4976(3) 0.0409(7) Uani 0.645(2) 1 d D . P A 1
O1 O 0.2241(2) 1.0325(4) 0.3716(5) 0.0368(13) Uani 0.645(2) 1 d D . P A 1
Rh1 Rh 0.14643(4) 0.96100(6) 0.25745(13) 0.0277(2) Uani 0.645(2) 1 d D . P A 1
C34 C 0.1146(4) 0.9575(7) 0.0538(11) 0.0371(7) Uani 0.355(2) 1 d G . P A 2
C35 C 0.1194(4) 1.0480(6) 0.1181(11) 0.0371(7) Uani 0.355(2) 1 d G . P A 2
C36 C 0.0736(4) 1.0562(5) 0.2152(10) 0.0371(7) Uani 0.355(2) 1 d G . P A 2
C37 C 0.0404(4) 0.9707(7) 0.2110(10) 0.0371(7) Uani 0.355(2) 1 d G . P A 2
C38 C 0.0658(4) 0.9097(5) 0.1113(12) 0.0371(7) Uani 0.355(2) 1 d G . P A 2
C39 C 0.1514(10) 0.9148(17) -0.057(2) 0.062(5) Uani 0.355(2) 1 d . U P A 2
H39C H 0.192536 0.944346 -0.047220 0.094 Uiso 0.355(2) 1 calc R U P A 2
H39A H 0.129552 0.924308 -0.158725 0.094 Uiso 0.355(2) 1 calc R U P A 2
H39B H 0.156351 0.847929 -0.036653 0.094 Uiso 0.355(2) 1 calc R U P A 2
C40 C 0.1633(9) 1.1217(15) 0.093(2) 0.076(4) Uani 0.355(2) 1 d . U P A 2
H40B H 0.179371 1.151158 0.189158 0.113 Uiso 0.355(2) 1 calc R U P A 2
H40A H 0.142033 1.168472 0.024707 0.113 Uiso 0.355(2) 1 calc R U P A 2
H40C H 0.197941 1.094770 0.048686 0.113 Uiso 0.355(2) 1 calc R U P A 2
C41 C 0.0611(8) 1.1409(12) 0.3052(19) 0.059(3) Uani 0.355(2) 1 d . U P A 2
H41A H 0.027273 1.127350 0.363259 0.089 Uiso 0.355(2) 1 calc R U P A 2
H41B H 0.049130 1.193150 0.237046 0.089 Uiso 0.355(2) 1 calc R U P A 2
H41C H 0.098838 1.157192 0.373842 0.089 Uiso 0.355(2) 1 calc R U P A 2
C42 C -0.0148(6) 0.9485(11) 0.2907(15) 0.042(3) Uani 0.355(2) 1 d . U P A 2
H42A H -0.024999 1.003186 0.347710 0.062 Uiso 0.355(2) 1 calc R U P A 2
H42B H -0.004379 0.896046 0.359411 0.062 Uiso 0.355(2) 1 calc R U P A 2
H42C H -0.050717 0.932020 0.216319 0.062 Uiso 0.355(2) 1 calc R U P A 2
C43 C 0.0398(7) 0.8108(10) 0.0753(17) 0.042(3) Uani 0.355(2) 1 d . U P A 2
H43A H -0.001782 0.815258 0.016642 0.062 Uiso 0.355(2) 1 calc R U P A 2
H43B H 0.037261 0.777414 0.169214 0.062 Uiso 0.355(2) 1 calc R U P A 2
H43C H 0.067543 0.777050 0.017212 0.062 Uiso 0.355(2) 1 calc R U P A 2
Cl1A Cl 0.1132(3) 0.8780(4) 0.5252(4) 0.0404(13) Uani 0.355(2) 1 d D . P A 2
O1A O 0.2111(4) 1.0136(9) 0.4233(10) 0.0368(13) Uani 0.355(2) 1 d D . P A 2
Rh1A Rh 0.13661(7) 0.94287(12) 0.2942(2) 0.0277(2) Uani 0.355(2) 1 d D . P A 2
O11 O 0.1062(12) 1.1146(16) 0.623(3) 0.087(5) Uani 0.295(11) 1 d G . P B -2
H11A H 0.122159 1.147626 0.560032 0.131 Uiso 0.295(11) 1 d G U P B -2
H11B H 0.118389 1.059457 0.608404 0.131 Uiso 0.295(11) 1 d G U P B -2
O10 O 0.1384(17) 1.106(2) 0.709(4) 0.087(5) Uani 0.205(11) 1 d G . P B -1
H10A H 0.153707 1.157879 0.686465 0.131 Uiso 0.205(11) 1 d G U P B -1
H10B H 0.099532 1.112564 0.710790 0.131 Uiso 0.205(11) 1 d G U P B -1


_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
C2 H2 0.9500 . ?
C2 C3 1.409(6) . ?
C2 N1 1.303(6) . ?
C3 H3 0.9500 . ?
C3 C4 1.371(6) . ?
C4 H4 0.9500 . ?
C4 C10 1.415(7) . ?
C5 C6 1.369(8) . ?
C5 C10 1.425(6) . ?
C5 N11 1.422(6) . ?
C6 H6 0.9500 . ?
C6 C7 1.401(8) . ?
C7 H7 0.9500 . ?
C7 C8 1.394(7) . ?
C8 C9 1.409(8) . ?
C8 O1 1.334(8) . ?
C8 O1A 1.399(13) . ?
C9 C10 1.422(6) . ?
C9 N1 1.380(6) . ?
C12 C13 1.514(7) . ?
C12 N11 1.336(5) . ?
C12 O23 1.237(5) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C13 C14 1.509(10) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C14 C15 1.529(11) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C15 C16 1.515(10) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C16 C17 1.500(12) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C17 C18 1.536(11) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C18 C19 1.497(13) . ?
C19 N20 1.342(11) . ?
C19 O22 1.222(9) . ?
N1 Rh1 2.106(4) . ?
N1 Rh1A 2.111(4) . ?
N11 H11 0.8800 . ?
N20 H20 0.8800 . ?
N20 O21 1.399(8) . ?
O21 H21 0.8400 . ?
C24 C25 1.4200 . ?
C24 C28 1.4200 . ?
C24 C29 1.507(12) . ?
C24 Rh1 2.118(6) . ?
C25 C26 1.4200 . ?
C25 C30 1.510(10) . ?
C25 Rh1 2.137(5) . ?
C26 C27 1.4200 . ?
C26 C31 1.505(11) . ?
C26 Rh1 2.150(5) . ?
C27 C28 1.4200 . ?
C27 C32 1.490(9) . ?
C27 Rh1 2.139(5) . ?
C28 C33 1.501(9) . ?
C28 Rh1 2.119(6) . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
Cl1 Rh1 2.399(2) . ?
O1 Rh1 2.109(4) . ?
C34 C35 1.4200 . ?
C34 C38 1.4200 . ?
C34 C39 1.49(2) . ?
C34 Rh1A 2.156(10) . ?
C35 C36 1.4200 . ?
C35 C40 1.462(18) . ?
C35 Rh1A 2.181(9) . ?
C36 C37 1.4200 . ?
C36 C41 1.506(18) . ?
C36 Rh1A 2.177(9) . ?
C37 C38 1.4200 . ?
C37 C42 1.516(14) . ?
C37 Rh1A 2.150(9) . ?
C38 C43 1.543(16) . ?
C38 Rh1A 2.137(10) . ?
C39 H39C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40C 0.9800 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
Cl1A Rh1A 2.398(3) . ?
O1A Rh1A 2.109(4) . ?
O11 H11A 0.8500 . ?
O11 H11B 0.8501 . ?
O10 H10A 0.8500 . ?
O10 H10B 0.8500 . ?

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
C3 C2 H2 118.6 . . ?
N1 C2 H2 118.6 . . ?
N1 C2 C3 122.9(4) . . ?
C2 C3 H3 120.4 . . ?
C4 C3 C2 119.2(5) . . ?
C4 C3 H3 120.4 . . ?
C3 C4 H4 120.3 . . ?
C3 C4 C10 119.5(4) . . ?
C10 C4 H4 120.3 . . ?
C6 C5 C10 119.3(4) . . ?
C6 C5 N11 122.6(4) . . ?
N11 C5 C10 118.1(4) . . ?
C5 C6 H6 118.8 . . ?
C5 C6 C7 122.5(5) . . ?
C7 C6 H6 118.8 . . ?
C6 C7 H7 119.8 . . ?
C8 C7 C6 120.4(6) . . ?
C8 C7 H7 119.8 . . ?
C7 C8 C9 117.4(5) . . ?
C7 C8 O1A 124.4(5) . . ?
O1 C8 C7 123.1(5) . . ?
O1 C8 C9 119.1(5) . . ?
O1A C8 C9 114.1(5) . . ?
C8 C9 C10 122.7(4) . . ?
N1 C9 C8 116.8(4) . . ?
N1 C9 C10 120.5(4) . . ?
C4 C10 C5 124.5(4) . . ?
C4 C10 C9 118.0(4) . . ?
C9 C10 C5 117.5(4) . . ?
N11 C12 C13 114.5(4) . . ?
O23 C12 C13 122.2(4) . . ?
O23 C12 N11 123.3(4) . . ?
C12 C13 H13A 109.2 . . ?
C12 C13 H13B 109.2 . . ?
H13A C13 H13B 107.9 . . ?
C14 C13 C12 112.0(4) . . ?
C14 C13 H13A 109.2 . . ?
C14 C13 H13B 109.2 . . ?
C13 C14 H14A 108.8 . . ?
C13 C14 H14B 108.8 . . ?
C13 C14 C15 113.7(4) . . ?
H14A C14 H14B 107.7 . . ?
C15 C14 H14A 108.8 . . ?
C15 C14 H14B 108.8 . . ?
C14 C15 H15A 108.7 . . ?
C14 C15 H15B 108.7 . . ?
H15A C15 H15B 107.6 . . ?
C16 C15 C14 114.3(6) . . ?
C16 C15 H15A 108.7 . . ?
C16 C15 H15B 108.7 . . ?
C15 C16 H16A 109.1 . . ?
C15 C16 H16B 109.1 . . ?
H16A C16 H16B 107.8 . . ?
C17 C16 C15 112.6(6) . . ?
C17 C16 H16A 109.1 . . ?
C17 C16 H16B 109.1 . . ?
C16 C17 H17A 109.1 . . ?
C16 C17 H17B 109.1 . . ?
C16 C17 C18 112.7(6) . . ?
H17A C17 H17B 107.8 . . ?
C18 C17 H17A 109.1 . . ?
C18 C17 H17B 109.1 . . ?
C17 C18 H18A 109.0 . . ?
C17 C18 H18B 109.0 . . ?
H18A C18 H18B 107.8 . . ?
C19 C18 C17 112.9(7) . . ?
C19 C18 H18A 109.0 . . ?
C19 C18 H18B 109.0 . . ?
N20 C19 C18 114.0(6) . . ?
O22 C19 C18 122.7(11) . . ?
O22 C19 N20 123.3(11) . . ?
C2 N1 C9 120.0(4) . . ?
C2 N1 Rh1 128.4(3) . . ?
C2 N1 Rh1A 124.3(3) . . ?
C9 N1 Rh1 111.5(3) . . ?
C9 N1 Rh1A 114.7(3) . . ?
C5 N11 H11 117.0 . . ?
C12 N11 C5 126.1(4) . . ?
C12 N11 H11 117.0 . . ?
C19 N20 H20 119.0 . . ?
C19 N20 O21 122.1(8) . . ?
O21 N20 H20 119.0 . . ?
N20 O21 H21 109.5 . . ?
C25 C24 C28 108.0 . . ?
C25 C24 C29 122.2(7) . . ?
C25 C24 Rh1 71.2(2) . . ?
C28 C24 C29 129.6(7) . . ?
C28 C24 Rh1 70.5(2) . . ?
C29 C24 Rh1 127.5(5) . . ?
C24 C25 C30 126.1(7) . . ?
C24 C25 Rh1 69.8(2) . . ?
C26 C25 C24 108.0 . . ?
C26 C25 C30 125.9(7) . . ?
C26 C25 Rh1 71.1(2) . . ?
C30 C25 Rh1 126.4(5) . . ?
C25 C26 C27 108.0 . . ?
C25 C26 C31 125.7(6) . . ?
C25 C26 Rh1 70.2(2) . . ?
C27 C26 C31 126.3(6) . . ?
C27 C26 Rh1 70.3(2) . . ?
C31 C26 Rh1 125.0(5) . . ?
C26 C27 C32 124.7(5) . . ?
C26 C27 Rh1 71.1(2) . . ?
C28 C27 C26 108.0 . . ?
C28 C27 C32 127.3(5) . . ?
C28 C27 Rh1 69.8(2) . . ?
C32 C27 Rh1 126.2(5) . . ?
C24 C28 C33 126.3(5) . . ?
C24 C28 Rh1 70.4(2) . . ?
C27 C28 C24 108.0 . . ?
C27 C28 C33 125.7(5) . . ?
C27 C28 Rh1 71.3(2) . . ?
C33 C28 Rh1 125.0(5) . . ?
C24 C29 H29A 109.5 . . ?
C24 C29 H29B 109.5 . . ?
C24 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C25 C30 H30A 109.5 . . ?
C25 C30 H30B 109.5 . . ?
C25 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C26 C31 H31A 109.5 . . ?
C26 C31 H31B 109.5 . . ?
C26 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C27 C32 H32A 109.5 . . ?
C27 C32 H32B 109.5 . . ?
C27 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C28 C33 H33A 109.5 . . ?
C28 C33 H33B 109.5 . . ?
C28 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C8 O1 Rh1 111.3(4) . . ?
N1 Rh1 C24 100.39(16) . . ?
N1 Rh1 C25 116.89(17) . . ?
N1 Rh1 C26 154.32(18) . . ?
N1 Rh1 C27 155.92(19) . . ?
N1 Rh1 C28 117.90(17) . . ?
N1 Rh1 Cl1 82.99(13) . . ?
N1 Rh1 O1 79.4(2) . . ?
C24 Rh1 C25 38.99(9) . . ?
C24 Rh1 C26 65.15(11) . . ?
C24 Rh1 C27 65.33(12) . . ?
C24 Rh1 C28 39.16(10) . . ?
C24 Rh1 Cl1 133.95(17) . . ?
C25 Rh1 C26 38.69(8) . . ?
C25 Rh1 C27 65.01(10) . . ?
C25 Rh1 Cl1 158.37(14) . . ?
C26 Rh1 Cl1 122.51(16) . . ?
C27 Rh1 C26 38.67(8) . . ?
C27 Rh1 Cl1 93.37(15) . . ?
C28 Rh1 C25 65.35(12) . . ?
C28 Rh1 C26 65.12(11) . . ?
C28 Rh1 C27 38.96(9) . . ?
C28 Rh1 Cl1 98.69(16) . . ?
O1 Rh1 C24 138.3(2) . . ?
O1 Rh1 C25 103.7(2) . . ?
O1 Rh1 C26 97.3(2) . . ?
O1 Rh1 C27 124.3(2) . . ?
O1 Rh1 C28 162.0(2) . . ?
O1 Rh1 Cl1 87.65(16) . . ?
C35 C34 C38 108.0 . . ?
C35 C34 C39 129.1(12) . . ?
C35 C34 Rh1A 71.8(4) . . ?
C38 C34 C39 122.9(12) . . ?
C38 C34 Rh1A 70.0(4) . . ?
C39 C34 Rh1A 124.4(9) . . ?
C34 C35 C36 108.0 . . ?
C34 C35 C40 127.6(12) . . ?
C34 C35 Rh1A 69.9(4) . . ?
C36 C35 C40 124.4(12) . . ?
C36 C35 Rh1A 70.8(3) . . ?
C40 C35 Rh1A 124.4(9) . . ?
C35 C36 C37 108.0 . . ?
C35 C36 C41 126.4(10) . . ?
C35 C36 Rh1A 71.1(4) . . ?
C37 C36 C41 125.6(10) . . ?
C37 C36 Rh1A 69.8(4) . . ?
C41 C36 Rh1A 125.5(8) . . ?
C36 C37 C42 126.9(9) . . ?
C36 C37 Rh1A 71.9(4) . . ?
C38 C37 C36 108.0 . . ?
C38 C37 C42 125.0(9) . . ?
C38 C37 Rh1A 70.2(4) . . ?
C42 C37 Rh1A 126.2(7) . . ?
C34 C38 C43 129.5(9) . . ?
C34 C38 Rh1A 71.4(4) . . ?
C37 C38 C34 108.0 . . ?
C37 C38 C43 122.5(9) . . ?
C37 C38 Rh1A 71.2(4) . . ?
C43 C38 Rh1A 124.5(8) . . ?
C34 C39 H39C 109.5 . . ?
C34 C39 H39A 109.5 . . ?
C34 C39 H39B 109.5 . . ?
H39C C39 H39A 109.5 . . ?
H39C C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C35 C40 H40B 109.5 . . ?
C35 C40 H40A 109.5 . . ?
C35 C40 H40C 109.5 . . ?
H40B C40 H40A 109.5 . . ?
H40B C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
C36 C41 H41A 109.5 . . ?
C36 C41 H41B 109.5 . . ?
C36 C41 H41C 109.5 . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C37 C42 H42A 109.5 . . ?
C37 C42 H42B 109.5 . . ?
C37 C42 H42C 109.5 . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C38 C43 H43A 109.5 . . ?
C38 C43 H43B 109.5 . . ?
C38 C43 H43C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C8 O1A Rh1A 115.3(7) . . ?
N1 Rh1A C34 94.3(2) . . ?
N1 Rh1A C35 116.2(3) . . ?
N1 Rh1A C36 154.2(3) . . ?
N1 Rh1A C37 145.7(3) . . ?
N1 Rh1A C38 108.1(3) . . ?
N1 Rh1A Cl1A 93.97(19) . . ?
C34 Rh1A C35 38.22(16) . . ?
C34 Rh1A C36 64.04(19) . . ?
C34 Rh1A Cl1A 149.6(3) . . ?
C35 Rh1A Cl1A 149.6(3) . . ?
C36 Rh1A C35 38.03(14) . . ?
C36 Rh1A Cl1A 111.8(3) . . ?
C37 Rh1A C34 64.5(2) . . ?
C37 Rh1A C35 64.07(18) . . ?
C37 Rh1A C36 38.31(14) . . ?
C37 Rh1A Cl1A 93.3(3) . . ?
C38 Rh1A C34 38.63(17) . . ?
C38 Rh1A C35 64.3(2) . . ?
C38 Rh1A C36 64.35(19) . . ?
C38 Rh1A C37 38.68(16) . . ?
C38 Rh1A Cl1A 111.2(3) . . ?
O1A Rh1A N1 77.0(4) . . ?
O1A Rh1A C34 123.2(4) . . ?
O1A Rh1A C35 96.0(4) . . ?
O1A Rh1A C36 102.4(4) . . ?
O1A Rh1A C37 136.9(5) . . ?
O1A Rh1A C38 160.1(4) . . ?
O1A Rh1A Cl1A 87.2(3) . . ?
H11A O11 H11B 104.5 . . ?
H10A O10 H10B 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
C2 C3 C4 C10 -0.7(6) . . . . ?
C3 C2 N1 C9 1.5(7) . . . . ?
C3 C2 N1 Rh1 177.3(3) . . . . ?
C3 C2 N1 Rh1A -166.8(3) . . . . ?
C3 C4 C10 C5 178.8(4) . . . . ?
C3 C4 C10 C9 -0.3(6) . . . . ?
C5 C6 C7 C8 -1.0(10) . . . . ?
C6 C5 C10 C4 -177.4(5) . . . . ?
C6 C5 C10 C9 1.8(7) . . . . ?
C6 C5 N11 C12 49.7(8) . . . . ?
C6 C7 C8 C9 3.5(10) . . . . ?
C6 C7 C8 O1 -168.4(6) . . . . ?
C6 C7 C8 O1A 159.1(8) . . . . ?
C7 C8 C9 C10 -3.4(9) . . . . ?
C7 C8 C9 N1 174.8(6) . . . . ?
C7 C8 O1 Rh1 -172.4(5) . . . . ?
C7 C8 O1A Rh1A -170.3(6) . . . . ?
C8 C9 C10 C4 180.0(5) . . . . ?
C8 C9 C10 C5 0.8(7) . . . . ?
C8 C9 N1 C2 179.3(5) . . . . ?
C8 C9 N1 Rh1 2.8(6) . . . . ?
C8 C9 N1 Rh1A -11.4(6) . . . . ?
C9 C8 O1 Rh1 15.8(7) . . . . ?
C9 C8 O1A Rh1A -14.0(9) . . . . ?
C10 C5 C6 C7 -1.7(8) . . . . ?
C10 C5 N11 C12 -132.0(5) . . . . ?
C10 C9 N1 C2 -2.5(7) . . . . ?
C10 C9 N1 Rh1 -179.0(3) . . . . ?
C10 C9 N1 Rh1A 166.8(3) . . . . ?
C12 C13 C14 C15 58.9(6) . . . . ?
C13 C12 N11 C5 174.0(5) . . . . ?
C13 C14 C15 C16 171.7(5) . . . . ?
C14 C15 C16 C17 -176.8(5) . . . . ?
C15 C16 C17 C18 174.2(5) . . . . ?
C16 C17 C18 C19 -170.7(6) . . . . ?
C17 C18 C19 N20 -138.7(6) . . . . ?
C17 C18 C19 O22 41.2(9) . . . . ?
C18 C19 N20 O21 171.7(5) . . . . ?
N1 C2 C3 C4 0.1(7) . . . . ?
N1 C9 C10 C4 1.9(7) . . . . ?
N1 C9 C10 C5 -177.3(4) . . . . ?
N11 C5 C6 C7 176.6(5) . . . . ?
N11 C5 C10 C4 4.3(7) . . . . ?
N11 C5 C10 C9 -176.6(4) . . . . ?
N11 C12 C13 C14 -105.3(5) . . . . ?
O22 C19 N20 O21 -8.2(10) . . . . ?
O23 C12 C13 C14 72.5(7) . . . . ?
O23 C12 N11 C5 -3.7(8) . . . . ?
C24 C25 C26 C27 0.0 . . . . ?
C24 C25 C26 C31 179.8(7) . . . . ?
C24 C25 C26 Rh1 60.3(2) . . . . ?
C25 C24 C28 C27 0.0 . . . . ?
C25 C24 C28 C33 178.8(7) . . . . ?
C25 C24 C28 Rh1 -61.7(2) . . . . ?
C25 C26 C27 C28 0.0 . . . . ?
C25 C26 C27 C32 -178.2(6) . . . . ?
C25 C26 C27 Rh1 60.3(2) . . . . ?
C26 C27 C28 C24 0.0 . . . . ?
C26 C27 C28 C33 -178.8(7) . . . . ?
C26 C27 C28 Rh1 61.10(19) . . . . ?
C28 C24 C25 C26 0.0 . . . . ?
C28 C24 C25 C30 -177.9(7) . . . . ?
C28 C24 C25 Rh1 61.20(19) . . . . ?
C29 C24 C25 C26 175.7(7) . . . . ?
C29 C24 C25 C30 -2.2(9) . . . . ?
C29 C24 C25 Rh1 -123.1(6) . . . . ?
C29 C24 C28 C27 -175.2(8) . . . . ?
C29 C24 C28 C33 3.6(9) . . . . ?
C29 C24 C28 Rh1 123.1(7) . . . . ?
C30 C25 C26 C27 177.9(7) . . . . ?
C30 C25 C26 C31 -2.3(9) . . . . ?
C30 C25 C26 Rh1 -121.8(7) . . . . ?
C31 C26 C27 C28 -179.8(7) . . . . ?
C31 C26 C27 C32 2.0(8) . . . . ?
C31 C26 C27 Rh1 -119.5(6) . . . . ?
C32 C27 C28 C24 178.1(7) . . . . ?
C32 C27 C28 C33 -0.7(8) . . . . ?
C32 C27 C28 Rh1 -120.8(6) . . . . ?
O1 C8 C9 C10 168.9(5) . . . . ?
O1 C8 C9 N1 -13.0(8) . . . . ?
Rh1 C24 C25 C26 -61.20(19) . . . . ?
Rh1 C24 C25 C30 120.9(7) . . . . ?
Rh1 C24 C28 C27 61.7(2) . . . . ?
Rh1 C24 C28 C33 -119.5(6) . . . . ?
Rh1 C25 C26 C27 -60.3(2) . . . . ?
Rh1 C25 C26 C31 119.4(6) . . . . ?
Rh1 C26 C27 C28 -60.3(2) . . . . ?
Rh1 C26 C27 C32 121.5(6) . . . . ?
Rh1 C27 C28 C24 -61.10(19) . . . . ?
Rh1 C27 C28 C33 120.1(6) . . . . ?
C34 C35 C36 C37 0.0 . . . . ?
C34 C35 C36 C41 -179.0(12) . . . . ?
C34 C35 C36 Rh1A 60.4(4) . . . . ?
C35 C34 C38 C37 0.0 . . . . ?
C35 C34 C38 C43 178.0(12) . . . . ?
C35 C34 C38 Rh1A -62.1(3) . . . . ?
C35 C36 C37 C38 0.0 . . . . ?
C35 C36 C37 C42 -176.7(11) . . . . ?
C35 C36 C37 Rh1A 61.2(4) . . . . ?
C36 C37 C38 C34 0.0 . . . . ?
C36 C37 C38 C43 -178.2(11) . . . . ?
C36 C37 C38 Rh1A 62.3(3) . . . . ?
C38 C34 C35 C36 0.0 . . . . ?
C38 C34 C35 C40 179.5(13) . . . . ?
C38 C34 C35 Rh1A 60.9(3) . . . . ?
C39 C34 C35 C36 179.1(14) . . . . ?
C39 C34 C35 C40 -1.4(17) . . . . ?
C39 C34 C35 Rh1A -120.0(13) . . . . ?
C39 C34 C38 C37 -179.2(13) . . . . ?
C39 C34 C38 C43 -1.1(15) . . . . ?
C39 C34 C38 Rh1A 118.7(11) . . . . ?
C40 C35 C36 C37 -179.5(13) . . . . ?
C40 C35 C36 C41 1.5(15) . . . . ?
C40 C35 C36 Rh1A -119.1(12) . . . . ?
C41 C36 C37 C38 179.0(12) . . . . ?
C41 C36 C37 C42 2.3(14) . . . . ?
C41 C36 C37 Rh1A -119.8(11) . . . . ?
C42 C37 C38 C34 176.8(11) . . . . ?
C42 C37 C38 C43 -1.4(13) . . . . ?
C42 C37 C38 Rh1A -120.9(10) . . . . ?
O1A C8 C9 C10 -161.5(6) . . . . ?
O1A C8 C9 N1 16.6(8) . . . . ?
Rh1A C34 C35 C36 -60.9(3) . . . . ?
Rh1A C34 C35 C40 118.5(12) . . . . ?
Rh1A C34 C38 C37 62.1(3) . . . . ?
Rh1A C34 C38 C43 -119.8(11) . . . . ?
Rh1A C35 C36 C37 -60.4(4) . . . . ?
Rh1A C35 C36 C41 120.7(11) . . . . ?
Rh1A C36 C37 C38 -61.2(4) . . . . ?
Rh1A C36 C37 C42 122.1(10) . . . . ?
Rh1A C37 C38 C34 -62.3(3) . . . . ?
Rh1A C37 C38 C43 119.5(10) . . . . ?

_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 2.338
_oxdiff_exptl_absorpt_empirical_full_min 0.643
