# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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_RhLA4BF4
_database_code_depnum_ccdc_archive 'CCDC 2091366'
loop_
_audit_author_name
_audit_author_address
'Veronica Conejo-Rodriguez'
;University of Valladolid, IU Cinquima
Spain
;
_audit_update_record             
;
2021-06-21 deposited with the CCDC.	2022-12-22 downloaded from the CCDC.
;
_audit_creation_date             2019-04-08
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C32 H28 N4 Rh, B F4'
_chemical_formula_sum            'C32 H28 B F4 N4 Rh'
_chemical_formula_weight         658.30
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C32 H28 B F4 N4 Rh'
_chemical_oxdiff_usercomment     red
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   14.6259(3)
_cell_length_b                   16.8572(3)
_cell_length_c                   27.9530(5)
_cell_angle_alpha                90
_cell_angle_beta                 94.306(2)
_cell_angle_gamma                90
_cell_volume                     6872.4(2)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    11640
_cell_measurement_temperature    180.00(14)
_cell_measurement_theta_max      28.2970
_cell_measurement_theta_min      3.6910
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.543
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.300
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.45g (Rigaku Oxford Diffraction, 2018)
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            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.272
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2672
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-13 15 -16 0.1051
13 -15 16 0.1201
12 18 8 0.2028
-12 -18 -8 0.2028
19 7 -15 0.1634
-19 -7 15 0.1634
-10 6 35 0.1765
10 -6 -35 0.1765

_exptl_crystal_size_max          0.422
_exptl_crystal_size_mid          0.353
_exptl_crystal_size_min          0.225
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-13.0000 15.0000 -15.9999 0.7326 0.6274 -0.2695
13.0000 -15.0000 15.9999 -0.7326 -0.6274 0.2695
12.0000 18.0000 8.0001 0.2008 0.1717 0.9503
-12.0000 -18.0000 -8.0001 -0.2008 -0.1717 -0.9503
19.0000 7.0000 -14.9999 0.4127 -0.5705 0.7330
-19.0000 -7.0000 14.9999 -0.4127 0.5705 -0.7330
-10.0000 6.0000 34.9999 -0.5719 0.8321 0.0972
10.0000 -6.0000 -34.9999 0.5719 -0.8321 -0.0972

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0244
_diffrn_reflns_av_unetI/netI     0.0295
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.859
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            23228
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.859
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.705
_diffrn_reflns_theta_min         3.368
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      180.00(14)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.4757
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.859
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -37.00  59.00   1.00   22.91    --  -10.80  57.00  60.00   96
  2  ω    -78.00  13.00   1.00   22.91    --  -10.80 -57.00 -90.00   91
  3  ω     34.00 100.00   1.00   22.91    --   12.36-178.00 -90.00   66
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0035790000
_diffrn_orient_matrix_UB_12      0.0230101000
_diffrn_orient_matrix_UB_13      -0.0213071000
_diffrn_orient_matrix_UB_21      -0.0313117000
_diffrn_orient_matrix_UB_22      0.0257869000
_diffrn_orient_matrix_UB_23      0.0104063000
_diffrn_orient_matrix_UB_31      0.0370359000
_diffrn_orient_matrix_UB_32      0.0239925000
_diffrn_orient_matrix_UB_33      0.0092453000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7053
_reflns_number_total             8391
_reflns_odcompleteness_completeness 99.70
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_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 1.171.39.45g (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.45g (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.45g (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.805
_refine_diff_density_min         -1.023
_refine_diff_density_rms         0.122
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.219
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     428
_refine_ls_number_reflns         8391
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1090
_refine_ls_R_factor_gt           0.0966
_refine_ls_restrained_S_all      1.219
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0652P)²+92.1143P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2604
_refine_ls_wR_factor_ref         0.2665
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Others
 Fixed Sof: F1(0.5) F2(0.5) F4(0.5) F0AA(0.5) F3(0.5) F16(0.5) F1AA(0.5)
 B3(0.5) F2AA(0.5) B10(0.5)
3.a Aromatic/amide H refined with riding coordinates:
 C00F(H00F), C00G(H00G), C00K(H00K), C00L(H00L), C00M(H00M), C00O(H00O),
 C00P(H00P), C00Q(H00Q), C00R(H00R), C00S(H00S), C00T(H00T), C00U(H00U),
 C00V(H00V), C00X(H00X), C00Y(H00Y), C010(H010)
3.b Idealised Me refined as rotating group:
 C00N(H00A,H00B,H00C), C00W(H00D,H00E,H00H), C00Z(H00I,H00J,H00N), C011(H01A,
 H01B,H01C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh01 Rh 0.55624(4) 0.18619(3) 0.69745(2) 0.0457(2) Uani 1 1 d . . . . .
N002 N 0.4849(4) 0.3252(4) 0.6293(2) 0.0491(14) Uani 1 1 d . . . . .
N003 N 0.6400(4) 0.0511(4) 0.7639(2) 0.0484(14) Uani 1 1 d . . . . .
N004 N 0.6408(5) 0.3236(4) 0.7586(3) 0.0592(17) Uani 1 1 d . . . . .
N005 N 0.4837(4) 0.0618(4) 0.6233(2) 0.0514(15) Uani 1 1 d . . . . .
C006 C 0.6117(5) 0.2693(4) 0.7380(3) 0.0478(16) Uani 1 1 d . . . . .
C007 C 0.5075(5) 0.1057(4) 0.6516(3) 0.0443(15) Uani 1 1 d . . . . .
C008 C 0.5090(5) 0.2718(5) 0.6547(3) 0.0524(18) Uani 1 1 d . . . . .
C009 C 0.6715(5) -0.0055(4) 0.7962(3) 0.0421(14) Uani 1 1 d . . . . .
C00A C 0.6093(5) 0.1016(6) 0.7392(3) 0.0534(19) Uani 1 1 d . . . . .
C00B C 0.4610(5) 0.3879(4) 0.6007(2) 0.0435(15) Uani 1 1 d . . . . .
C00C C 0.6655(5) 0.3969(5) 0.7835(3) 0.0466(16) Uani 1 1 d . . . . .
C00D C 0.4146(6) 0.5179(6) 0.5445(3) 0.064(2) Uani 1 1 d . . . . .
C00E C 0.7356(5) -0.1215(4) 0.8613(3) 0.0471(16) Uani 1 1 d . . . . .
C00F C 0.4049(6) 0.0247(6) 0.5475(3) 0.062(2) Uani 1 1 d . . . . .
H00F H 0.3825 0.0762 0.5439 0.075 Uiso 1 1 calc R . . . .
C00G C 0.6484(6) -0.0838(4) 0.7885(3) 0.0542(19) Uani 1 1 d . . . . .
H00G H 0.6109 -0.0986 0.7617 0.065 Uiso 1 1 calc R . . . .
C00H C 0.4583(5) 0.0040(5) 0.5875(3) 0.0534(18) Uani 1 1 d . . . . .
C00I C 0.7067(6) 0.5348(5) 0.8323(3) 0.060(2) Uani 1 1 d . . . . .
C00J C 0.4151(6) -0.1089(5) 0.5172(3) 0.061(2) Uani 1 1 d . . . . .
C00K C 0.4720(6) 0.5279(5) 0.5861(3) 0.060(2) Uani 1 1 d . . . . .
H00K H 0.4939 0.5779 0.5952 0.072 Uiso 1 1 calc R . . . .
C00L C 0.4959(6) 0.4611(5) 0.6140(3) 0.0560(19) Uani 1 1 d . . . . .
H00L H 0.5353 0.4661 0.6415 0.067 Uiso 1 1 calc R . . . .
C00M C 0.4676(7) -0.1280(5) 0.5584(4) 0.077(3) Uani 1 1 d . . . . .
H00M H 0.4890 -0.1796 0.5627 0.093 Uiso 1 1 calc R . . . .
C00N C 0.7692(7) -0.1818(6) 0.8969(3) 0.069(2) Uani 1 1 d . . . . .
H00A H 0.7179 -0.2072 0.9101 0.103 Uiso 1 1 calc GR . . . .
H00B H 0.8066 -0.1566 0.9222 0.103 Uiso 1 1 calc GR . . . .
H00C H 0.8049 -0.2208 0.8815 0.103 Uiso 1 1 calc GR . . . .
C00O C 0.4891(7) -0.0722(6) 0.5935(4) 0.072(3) Uani 1 1 d . . . . .
H00O H 0.5245 -0.0864 0.6212 0.087 Uiso 1 1 calc R . . . .
C00P C 0.7253(7) 0.3923(6) 0.8238(4) 0.070(3) Uani 1 1 d . . . . .
H00P H 0.7500 0.3443 0.8348 0.084 Uiso 1 1 calc R . . . .
C00Q C 0.6279(6) 0.4648(6) 0.7667(3) 0.065(2) Uani 1 1 d . . . . .
H00Q H 0.5895 0.4661 0.7386 0.078 Uiso 1 1 calc R . . . .
C00R C 0.7285(6) 0.0164(6) 0.8359(3) 0.062(2) Uani 1 1 d . . . . .
H00R H 0.7448 0.0691 0.8412 0.075 Uiso 1 1 calc R . . . .
C00S C 0.6817(7) -0.1405(5) 0.8213(3) 0.062(2) Uani 1 1 d . . . . .
H00S H 0.6665 -0.1934 0.8157 0.075 Uiso 1 1 calc R . . . .
C00T C 0.3842(6) -0.0317(6) 0.5121(3) 0.065(2) Uani 1 1 d . . . . .
H00T H 0.3488 -0.0172 0.4845 0.078 Uiso 1 1 calc R . . . .
C00U C 0.7612(6) -0.0442(6) 0.8680(3) 0.062(2) Uani 1 1 d . . . . .
H00U H 0.8011 -0.0308 0.8943 0.074 Uiso 1 1 calc R . . . .
C00V C 0.7465(7) 0.4622(6) 0.8465(4) 0.072(3) Uani 1 1 d . . . . .
H00V H 0.7894 0.4616 0.8728 0.087 Uiso 1 1 calc R . . . .
C00W C 0.3912(9) -0.1687(6) 0.4786(4) 0.086(3) Uani 1 1 d . . . . .
H00D H 0.4099 -0.1493 0.4485 0.129 Uiso 1 1 calc GR . . . .
H00E H 0.3261 -0.1774 0.4760 0.129 Uiso 1 1 calc GR . . . .
H00H H 0.4221 -0.2177 0.4864 0.129 Uiso 1 1 calc GR . . . .
C00X C 0.4049(8) 0.3779(7) 0.5602(4) 0.083(3) Uani 1 1 d . . . . .
H00X H 0.3824 0.3282 0.5509 0.100 Uiso 1 1 calc R . . . .
C00Y C 0.6481(7) 0.5318(6) 0.7926(4) 0.073(3) Uani 1 1 d . . . . .
H00Y H 0.6196 0.5788 0.7822 0.087 Uiso 1 1 calc R . . . .
C00Z C 0.7298(8) 0.6118(6) 0.8595(4) 0.083(3) Uani 1 1 d . . . . .
H00I H 0.7567 0.5995 0.8910 0.125 Uiso 1 1 calc GR . . . .
H00J H 0.6748 0.6420 0.8621 0.125 Uiso 1 1 calc GR . . . .
H00N H 0.7725 0.6421 0.8425 0.125 Uiso 1 1 calc GR . . . .
C010 C 0.3824(9) 0.4466(8) 0.5329(4) 0.096(4) Uani 1 1 d . . . . .
H010 H 0.3431 0.4414 0.5053 0.115 Uiso 1 1 calc R . . . .
C011 C 0.3907(9) 0.5897(8) 0.5131(4) 0.107(5) Uani 1 1 d . . . . .
H01A H 0.4105 0.6371 0.5299 0.161 Uiso 1 1 calc GR . . . .
H01B H 0.3256 0.5917 0.5058 0.161 Uiso 1 1 calc GR . . . .
H01C H 0.4209 0.5856 0.4839 0.161 Uiso 1 1 calc GR . . . .
F1 F 0.8407(12) 0.2074(9) 0.7877(8) 0.144(7) Uani 0.5 1 d . . P . .
F2 F 0.9955(14) 0.2174(14) 0.8412(9) 0.166(8) Uani 0.5 1 d . . P . .
F4 F 0.9352(14) 0.1247(18) 0.8133(6) 0.151(9) Uani 0.5 1 d . . P . .
F0AA F 0.9377(15) 0.292(2) 0.8092(11) 0.229(14) Uani 0.5 1 d . . P . .
F3 F 0.1847(12) 0.2786(14) 0.5628(17) 0.30(3) Uani 0.5 1 d . . P . .
F16 F 0.1884(17) 0.1385(13) 0.5708(7) 0.157(8) Uani 0.5 1 d . . P . .
F1AA F 0.108(3) 0.2074(17) 0.5517(9) 0.236(16) Uani 0.5 1 d . . P . .
B3 B 0.2214(18) 0.2004(19) 0.5743(9) 0.071(7) Uani 0.5 1 d . . P . .
F2AA F 0.285(2) 0.2040(11) 0.5785(16) 0.260(19) Uani 0.5 1 d . . P . .
B10 B 0.923(3) 0.196(4) 0.8105(9) 0.14(2) Uani 0.5 1 d . . P . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Rh01 C006 1.940(8) . ?
Rh01 C007 1.963(7) . ?
Rh01 C008 1.967(9) . ?
Rh01 C00A 1.964(9) . ?
N002 C008 1.182(10) . ?
N002 C00B 1.355(9) . ?
N003 C009 1.368(9) . ?
N003 C00A 1.166(10) . ?
N004 C006 1.147(10) . ?
N004 C00C 1.450(10) . ?
N005 C007 1.118(9) . ?
N005 C00H 1.426(10) . ?
C009 C00G 1.375(10) . ?
C009 C00R 1.387(11) . ?
C00B C00L 1.375(11) . ?
C00B C00X 1.358(12) . ?
C00C C00P 1.375(11) . ?
C00C C00Q 1.340(12) . ?
C00D C00K 1.393(13) . ?
C00D C010 1.323(15) . ?
C00D C011 1.519(12) . ?
C00E C00N 1.481(11) . ?
C00E C00S 1.357(11) . ?
C00E C00U 1.365(12) . ?
C00F H00F 0.9300 . ?
C00F C00H 1.360(11) . ?
C00F C00T 1.389(12) . ?
C00G H00G 0.9300 . ?
C00G C00S 1.386(11) . ?
C00H C00O 1.368(13) . ?
C00I C00V 1.401(14) . ?
C00I C00Y 1.352(13) . ?
C00I C00Z 1.529(12) . ?
C00J C00M 1.374(12) . ?
C00J C00T 1.381(13) . ?
C00J C00W 1.499(13) . ?
C00K H00K 0.9300 . ?
C00K C00L 1.400(11) . ?
C00L H00L 0.9300 . ?
C00M H00M 0.9300 . ?
C00M C00O 1.378(13) . ?
C00N H00A 0.9600 . ?
C00N H00B 0.9600 . ?
C00N H00C 0.9600 . ?
C00O H00O 0.9300 . ?
C00P H00P 0.9300 . ?
C00P C00V 1.363(13) . ?
C00Q H00Q 0.9300 . ?
C00Q C00Y 1.362(13) . ?
C00R H00R 0.9300 . ?
C00R C00U 1.419(12) . ?
C00S H00S 0.9300 . ?
C00T H00T 0.9300 . ?
C00U H00U 0.9300 . ?
C00V H00V 0.9300 . ?
C00W H00D 0.9600 . ?
C00W H00E 0.9600 . ?
C00W H00H 0.9600 . ?
C00X H00X 0.9300 . ?
C00X C010 1.412(15) . ?
C00Y H00Y 0.9300 . ?
C00Z H00I 0.9600 . ?
C00Z H00J 0.9600 . ?
C00Z H00N 0.9600 . ?
C010 H010 0.9300 . ?
C011 H01A 0.9600 . ?
C011 H01B 0.9600 . ?
C011 H01C 0.9600 . ?
F1 B10 1.33(3) . ?
F2 F0AA 1.73(4) . ?
F2 B10 1.37(5) . ?
F4 B10 1.22(6) . ?
F0AA B10 1.63(7) . ?
F3 F1AA 1.66(4) . ?
F3 B3 1.45(4) . ?
F16 F1AA 1.71(3) . ?
F16 B3 1.15(3) . ?
F1AA B3 1.73(4) . ?
B3 F2AA 0.93(3) . ?

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
C006 Rh01 C007 174.4(3) . . ?
C006 Rh01 C008 86.4(3) . . ?
C006 Rh01 C00A 92.8(3) . . ?
C007 Rh01 C008 91.0(3) . . ?
C007 Rh01 C00A 89.6(3) . . ?
C00A Rh01 C008 177.3(3) . . ?
C008 N002 C00B 177.5(8) . . ?
C00A N003 C009 174.8(7) . . ?
C006 N004 C00C 172.4(9) . . ?
C007 N005 C00H 176.9(8) . . ?
N004 C006 Rh01 173.2(8) . . ?
N005 C007 Rh01 175.3(7) . . ?
N002 C008 Rh01 176.5(7) . . ?
N003 C009 C00G 120.1(7) . . ?
N003 C009 C00R 119.6(7) . . ?
C00G C009 C00R 120.3(7) . . ?
N003 C00A Rh01 179.4(7) . . ?
N002 C00B C00L 117.8(7) . . ?
N002 C00B C00X 120.6(8) . . ?
C00X C00B C00L 121.7(8) . . ?
C00P C00C N004 117.7(7) . . ?
C00Q C00C N004 118.6(7) . . ?
C00Q C00C C00P 123.6(8) . . ?
C00K C00D C011 118.9(10) . . ?
C010 C00D C00K 119.7(8) . . ?
C010 C00D C011 121.4(10) . . ?
C00S C00E C00N 122.3(8) . . ?
C00S C00E C00U 118.4(7) . . ?
C00U C00E C00N 119.3(8) . . ?
C00H C00F H00F 120.3 . . ?
C00H C00F C00T 119.4(9) . . ?
C00T C00F H00F 120.3 . . ?
C009 C00G H00G 120.4 . . ?
C009 C00G C00S 119.3(7) . . ?
C00S C00G H00G 120.4 . . ?
C00F C00H N005 120.4(8) . . ?
C00F C00H C00O 120.3(8) . . ?
C00O C00H N005 119.3(7) . . ?
C00V C00I C00Z 121.9(9) . . ?
C00Y C00I C00V 115.2(8) . . ?
C00Y C00I C00Z 122.9(10) . . ?
C00M C00J C00T 117.7(9) . . ?
C00M C00J C00W 122.1(9) . . ?
C00T C00J C00W 120.2(8) . . ?
C00D C00K H00K 120.7 . . ?
C00D C00K C00L 118.5(8) . . ?
C00L C00K H00K 120.7 . . ?
C00B C00L C00K 120.0(8) . . ?
C00B C00L H00L 120.0 . . ?
C00K C00L H00L 120.0 . . ?
C00J C00M H00M 119.3 . . ?
C00J C00M C00O 121.3(9) . . ?
C00O C00M H00M 119.3 . . ?
C00E C00N H00A 109.5 . . ?
C00E C00N H00B 109.5 . . ?
C00E C00N H00C 109.5 . . ?
H00A C00N H00B 109.5 . . ?
H00A C00N H00C 109.5 . . ?
H00B C00N H00C 109.5 . . ?
C00H C00O C00M 119.9(8) . . ?
C00H C00O H00O 120.0 . . ?
C00M C00O H00O 120.0 . . ?
C00C C00P H00P 121.9 . . ?
C00V C00P C00C 116.2(9) . . ?
C00V C00P H00P 121.9 . . ?
C00C C00Q H00Q 121.4 . . ?
C00C C00Q C00Y 117.1(8) . . ?
C00Y C00Q H00Q 121.4 . . ?
C009 C00R H00R 121.0 . . ?
C009 C00R C00U 118.0(8) . . ?
C00U C00R H00R 121.0 . . ?
C00E C00S C00G 122.4(7) . . ?
C00E C00S H00S 118.8 . . ?
C00G C00S H00S 118.8 . . ?
C00F C00T H00T 119.3 . . ?
C00J C00T C00F 121.4(8) . . ?
C00J C00T H00T 119.3 . . ?
C00E C00U C00R 121.5(8) . . ?
C00E C00U H00U 119.2 . . ?
C00R C00U H00U 119.2 . . ?
C00I C00V H00V 118.4 . . ?
C00P C00V C00I 123.2(9) . . ?
C00P C00V H00V 118.4 . . ?
C00J C00W H00D 109.5 . . ?
C00J C00W H00E 109.5 . . ?
C00J C00W H00H 109.5 . . ?
H00D C00W H00E 109.5 . . ?
H00D C00W H00H 109.5 . . ?
H00E C00W H00H 109.5 . . ?
C00B C00X H00X 121.6 . . ?
C00B C00X C010 116.8(10) . . ?
C010 C00X H00X 121.6 . . ?
C00I C00Y C00Q 124.4(9) . . ?
C00I C00Y H00Y 117.8 . . ?
C00Q C00Y H00Y 117.8 . . ?
C00I C00Z H00I 109.5 . . ?
C00I C00Z H00J 109.5 . . ?
C00I C00Z H00N 109.5 . . ?
H00I C00Z H00J 109.5 . . ?
H00I C00Z H00N 109.5 . . ?
H00J C00Z H00N 109.5 . . ?
C00D C010 C00X 123.2(9) . . ?
C00D C010 H010 118.4 . . ?
C00X C010 H010 118.4 . . ?
C00D C011 H01A 109.5 . . ?
C00D C011 H01B 109.5 . . ?
C00D C011 H01C 109.5 . . ?
H01A C011 H01B 109.5 . . ?
H01A C011 H01C 109.5 . . ?
H01B C011 H01C 109.5 . . ?
B10 F2 F0AA 62(3) . . ?
B10 F0AA F2 47.9(17) . . ?
B3 F3 F1AA 67.5(18) . . ?
B3 F16 F1AA 72(2) . . ?
F3 F1AA F16 90(2) . . ?
F3 F1AA B3 50.6(18) . . ?
F16 F1AA B3 39.0(13) . . ?
F3 B3 F1AA 61.9(15) . . ?
F16 B3 F3 131(3) . . ?
F16 B3 F1AA 69(2) . . ?
F2AA B3 F3 109(3) . . ?
F2AA B3 F16 119(3) . . ?
F2AA B3 F1AA 164(4) . . ?
F1 B10 F2 154(5) . . ?
F1 B10 F0AA 88(3) . . ?
F2 B10 F0AA 70(4) . . ?
F4 B10 F1 108(5) . . ?
F4 B10 F2 96(3) . . ?
F4 B10 F0AA 164(4) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.145
_oxdiff_exptl_absorpt_empirical_full_min 0.867
####################################################################### 
# 
# 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_RhLc4Cl
_database_code_depnum_ccdc_archive 'CCDC 2091367'
loop_
_audit_author_name
_audit_author_address
'Veronica Conejo-Rodriguez'
;University of Valladolid, IU Cinquima
Spain
;
_audit_update_record             
;
2021-06-21 deposited with the CCDC.	2022-12-22 downloaded from the CCDC.
;
_audit_creation_date             2021-06-18
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C36 H36 N4 O8 Rh, Cl'
_chemical_formula_sum            'C36 H36 Cl N4 O8 Rh'
_chemical_formula_weight         791.05
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   3.8977(4)
_cell_length_b                   26.059(3)
_cell_length_c                   21.706(3)
_cell_angle_alpha                90
_cell_angle_beta                 94.320(10)
_cell_angle_gamma                90
_cell_volume                     2198.4(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    956
_cell_measurement_temperature    294
_cell_measurement_theta_max      22.3990
_cell_measurement_theta_min      3.8410
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.495
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.834
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.45g (Rigaku Oxford Diffraction, 2018)
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            blue
_exptl_crystal_colour_primary    blue
_exptl_crystal_density_diffrn    1.195
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             812
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0 4 -30 0.0427
0 -4 30 0.0650
-5 -1 -11 0.1358
5 3 3 0.2331
0 -36 -6 0.0364
0 36 6 0.0364

_exptl_crystal_size_max          0.433
_exptl_crystal_size_mid          0.108
_exptl_crystal_size_min          0.073
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0759
_diffrn_reflns_av_unetI/netI     0.1339
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.803
_diffrn_reflns_limit_h_max       4
_diffrn_reflns_limit_h_min       -4
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            8766
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.803
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.615
_diffrn_reflns_theta_min         3.650
_diffrn_ambient_temperature      294.0
_diffrn_detector_area_resol_mean 10.4757
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.803
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -20.00  30.00   1.00   55.00    --  -10.64 -99.00-120.00   50
  2  ω    -20.00  83.00   1.00   55.00    --   12.20  19.00 150.00  103
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2311
_reflns_number_total             4988
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.45g (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.45g (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.45g (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         0.877
_refine_diff_density_min         -0.631
_refine_diff_density_rms         0.098
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     245
_refine_ls_number_reflns         4988
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1457
_refine_ls_R_factor_gt           0.0751
_refine_ls_restrained_S_all      1.021
_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)+(0.0854P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1824
_refine_ls_wR_factor_ref         0.2407
_refine_special_details          SQUEEZE
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Others
 Fixed Sof: Cl1(0.4) Cl0A(0.1)
3.a Aromatic/amide H refined with riding coordinates:
 C00A(H00A), C00B(H00B), C00E(H00E), C00F(H00F), C00L(H00L), C00N(H00N)
3.b Idealised Me refined as rotating group:
 C00G(H00C,H00D,H00G), C00M(H00H,H00I,H00J), C00O(H00K,H00M,H00O), C00P(H00P,
 H00Q,H00R)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh01 Rh 0.0000 0.5000 0.5000 0.0549(3) Uani 1 2 d S T P . .
O002 O 0.2835(12) 0.75999(18) 0.3598(3) 0.0731(14) Uani 1 1 d . . . . .
O003 O 0.6652(12) 0.30188(18) 0.2684(2) 0.0708(13) Uani 1 1 d . . . . .
O004 O 0.6124(12) 0.64391(19) 0.2134(2) 0.0723(14) Uani 1 1 d . . . . .
O005 O 0.3015(11) 0.22305(17) 0.4499(2) 0.0703(13) Uani 1 1 d . . . . .
C006 C 0.1372(15) 0.5483(2) 0.4384(3) 0.0521(15) Uani 1 1 d . . . . .
N007 N 0.2154(12) 0.5800(2) 0.4043(3) 0.0605(15) Uani 1 1 d . . . . .
C008 C 0.1457(15) 0.4402(2) 0.4526(3) 0.0511(15) Uani 1 1 d . . . . .
N009 N 0.2251(13) 0.4036(2) 0.4301(3) 0.0625(15) Uani 1 1 d . . . . .
C00A C 0.4520(14) 0.3560(2) 0.3472(3) 0.0537(16) Uani 1 1 d . . . . .
H00A H 0.4800 0.3861 0.3251 0.064 Uiso 1 1 calc R . . . .
C00B C 0.4206(14) 0.6080(2) 0.3079(3) 0.0562(17) Uani 1 1 d . . . . .
H00B H 0.4517 0.5743 0.2956 0.067 Uiso 1 1 calc R . . . .
C00C C 0.5365(14) 0.3083(2) 0.3248(3) 0.0522(16) Uani 1 1 d . . . . .
C00D C 0.3013(14) 0.6198(2) 0.3652(3) 0.0524(16) Uani 1 1 d . . . . .
C00E C 0.4894(15) 0.2637(3) 0.3561(3) 0.0571(17) Uani 1 1 d . . . . .
H00E H 0.5421 0.2323 0.3387 0.069 Uiso 1 1 calc R . . . .
C00F C 0.4460(15) 0.6988(3) 0.2893(3) 0.0598(18) Uani 1 1 d . . . . .
H00F H 0.5000 0.7258 0.2638 0.072 Uiso 1 1 calc R . . . .
C00G C 0.6715(17) 0.5926(3) 0.1925(4) 0.078(2) Uani 1 1 d . . . . .
H00C H 0.7709 0.5939 0.1534 0.116 Uiso 1 1 calc GR . . . .
H00D H 0.4571 0.5744 0.1880 0.116 Uiso 1 1 calc GR . . . .
H00G H 0.8262 0.5753 0.2221 0.116 Uiso 1 1 calc GR . . . .
C00H C 0.3240(14) 0.3557(2) 0.4044(3) 0.0553(17) Uani 1 1 d . . . . .
C00I C 0.3217(15) 0.7099(3) 0.3458(3) 0.0553(16) Uani 1 1 d . . . . .
C00J C 0.4921(14) 0.6500(3) 0.2696(3) 0.0570(17) Uani 1 1 d . . . . .
C00K C 0.3627(15) 0.2655(3) 0.4139(3) 0.0597(18) Uani 1 1 d . . . . .
C00L C 0.2800(14) 0.3127(2) 0.4392(3) 0.0532(16) Uani 1 1 d . . . . .
H00L H 0.1978 0.3149 0.4782 0.064 Uiso 1 1 calc R . . . .
C00M C 0.7030(18) 0.3469(3) 0.2304(4) 0.074(2) Uani 1 1 d . . . . .
H00H H 0.8123 0.3375 0.1939 0.111 Uiso 1 1 calc GR . . . .
H00I H 0.8415 0.3719 0.2532 0.111 Uiso 1 1 calc GR . . . .
H00J H 0.4803 0.3612 0.2189 0.111 Uiso 1 1 calc GR . . . .
C00N C 0.2498(14) 0.6693(3) 0.3857(3) 0.0570(17) Uani 1 1 d . . . . .
H00N H 0.1706 0.6755 0.4243 0.068 Uiso 1 1 calc R . . . .
C00O C 0.151(2) 0.7719(3) 0.4177(5) 0.092(3) Uani 1 1 d . . . . .
H00K H 0.1209 0.8083 0.4210 0.137 Uiso 1 1 calc GR . . . .
H00M H 0.3095 0.7602 0.4508 0.137 Uiso 1 1 calc GR . . . .
H00O H -0.0667 0.7551 0.4204 0.137 Uiso 1 1 calc GR . . . .
C00P C 0.4158(17) 0.1752(3) 0.4283(4) 0.085(2) Uani 1 1 d . . . . .
H00P H 0.2959 0.1675 0.3892 0.127 Uiso 1 1 calc GR . . . .
H00Q H 0.3705 0.1489 0.4575 0.127 Uiso 1 1 calc GR . . . .
H00R H 0.6585 0.1769 0.4237 0.127 Uiso 1 1 calc GR . . . .
Cl1 Cl 0.253(3) 0.4753(2) 0.2573(5) 0.184(4) Uani 0.4 1 d . . . A 1
Cl0A Cl 0.692(8) 0.4797(7) 0.3172(13) 0.130(11) Uani 0.1 1 d . . . B 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Rh01 C006 1.940(7) 3_566 ?
Rh01 C006 1.940(7) . ?
Rh01 C008 1.973(6) 3_566 ?
Rh01 C008 1.973(6) . ?
O002 C00I 1.352(7) . ?
O002 C00O 1.429(10) . ?
O003 C00C 1.366(7) . ?
O003 C00M 1.449(8) . ?
O004 C00G 1.435(8) . ?
O004 C00J 1.349(8) . ?
O005 C00K 1.386(8) . ?
O005 C00P 1.415(8) . ?
C006 N007 1.164(8) . ?
N007 C00D 1.398(8) . ?
C008 N009 1.127(7) . ?
N009 C00H 1.430(8) . ?
C00A H00A 0.9300 . ?
C00A C00C 1.383(8) . ?
C00A C00H 1.373(9) . ?
C00B H00B 0.9300 . ?
C00B C00D 1.393(9) . ?
C00B C00J 1.415(9) . ?
C00C C00E 1.368(9) . ?
C00D C00N 1.383(9) . ?
C00E H00E 0.9300 . ?
C00E C00K 1.384(9) . ?
C00F H00F 0.9300 . ?
C00F C00I 1.383(9) . ?
C00F C00J 1.358(9) . ?
C00G H00C 0.9600 . ?
C00G H00D 0.9600 . ?
C00G H00G 0.9600 . ?
C00H C00L 1.369(9) . ?
C00I C00N 1.407(9) . ?
C00K C00L 1.394(8) . ?
C00L H00L 0.9300 . ?
C00M H00H 0.9600 . ?
C00M H00I 0.9600 . ?
C00M H00J 0.9600 . ?
C00N H00N 0.9300 . ?
C00O H00K 0.9600 . ?
C00O H00M 0.9600 . ?
C00O H00O 0.9600 . ?
C00P H00P 0.9600 . ?
C00P H00Q 0.9600 . ?
C00P H00R 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C006 Rh01 C006 180.0 3_566 . ?
C006 Rh01 C008 92.8(3) . . ?
C006 Rh01 C008 87.2(3) 3_566 . ?
C006 Rh01 C008 87.2(3) . 3_566 ?
C006 Rh01 C008 92.8(3) 3_566 3_566 ?
C008 Rh01 C008 180.0 3_566 . ?
C00I O002 C00O 117.4(6) . . ?
C00C O003 C00M 118.0(5) . . ?
C00J O004 C00G 118.0(5) . . ?
C00K O005 C00P 116.4(6) . . ?
N007 C006 Rh01 175.3(6) . . ?
C006 N007 C00D 177.1(7) . . ?
N009 C008 Rh01 173.9(6) . . ?
C008 N009 C00H 177.1(7) . . ?
C00C C00A H00A 122.4 . . ?
C00H C00A H00A 122.4 . . ?
C00H C00A C00C 115.2(6) . . ?
C00D C00B H00B 121.7 . . ?
C00D C00B C00J 116.6(6) . . ?
C00J C00B H00B 121.7 . . ?
O003 C00C C00A 122.6(6) . . ?
O003 C00C C00E 114.3(5) . . ?
C00E C00C C00A 123.0(6) . . ?
C00B C00D N007 119.3(6) . . ?
C00N C00D N007 116.7(6) . . ?
C00N C00D C00B 124.0(6) . . ?
C00C C00E H00E 120.3 . . ?
C00C C00E C00K 119.4(6) . . ?
C00K C00E H00E 120.3 . . ?
C00I C00F H00F 118.7 . . ?
C00J C00F H00F 118.7 . . ?
C00J C00F C00I 122.6(6) . . ?
O004 C00G H00C 109.5 . . ?
O004 C00G H00D 109.5 . . ?
O004 C00G H00G 109.5 . . ?
H00C C00G H00D 109.5 . . ?
H00C C00G H00G 109.5 . . ?
H00D C00G H00G 109.5 . . ?
C00A C00H N009 118.3(6) . . ?
C00L C00H N009 116.8(6) . . ?
C00L C00H C00A 124.9(6) . . ?
O002 C00I C00F 116.9(6) . . ?
O002 C00I C00N 123.9(7) . . ?
C00F C00I C00N 119.2(6) . . ?
O004 C00J C00B 122.6(7) . . ?
O004 C00J C00F 117.3(6) . . ?
C00F C00J C00B 120.1(7) . . ?
O005 C00K C00L 115.3(6) . . ?
C00E C00K O005 124.9(6) . . ?
C00E C00K C00L 119.8(7) . . ?
C00H C00L C00K 117.6(6) . . ?
C00H C00L H00L 121.2 . . ?
C00K C00L H00L 121.2 . . ?
O003 C00M H00H 109.5 . . ?
O003 C00M H00I 109.5 . . ?
O003 C00M H00J 109.5 . . ?
H00H C00M H00I 109.5 . . ?
H00H C00M H00J 109.5 . . ?
H00I C00M H00J 109.5 . . ?
C00D C00N C00I 117.6(6) . . ?
C00D C00N H00N 121.2 . . ?
C00I C00N H00N 121.2 . . ?
O002 C00O H00K 109.5 . . ?
O002 C00O H00M 109.5 . . ?
O002 C00O H00O 109.5 . . ?
H00K C00O H00M 109.5 . . ?
H00K C00O H00O 109.5 . . ?
H00M C00O H00O 109.5 . . ?
O005 C00P H00P 109.5 . . ?
O005 C00P H00Q 109.5 . . ?
O005 C00P H00R 109.5 . . ?
H00P C00P H00Q 109.5 . . ?
H00P C00P H00R 109.5 . . ?
H00Q C00P H00R 109.5 . . ?

_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
;
