# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# 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_shelx_trans
_database_code_depnum_ccdc_archive 'CCDC 2240612'
loop_
_audit_author_name
_audit_author_address
'Hideki Sugimoto'
;Osaka University
Japan
;
_audit_update_record             
;
2023-02-08 deposited with the CCDC.	2023-12-14 downloaded from the CCDC.
;
_audit_creation_date             2022-07-22
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C24 H25 N5 Rh, F6 P, C2 H3 N'
_chemical_formula_sum            'C26 H28 F6 N6 P Rh'
_chemical_formula_weight         672.42
_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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   8.6913(8)
_cell_length_b                   11.5969(12)
_cell_length_c                   13.7677(14)
_cell_angle_alpha                71.972(5)
_cell_angle_beta                 85.744(6)
_cell_angle_gamma                74.916(5)
_cell_volume                     1274.1(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    12505
_cell_measurement_temperature    115
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      3.00
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.807
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.7259
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ABCOR(Rigaku,1995)
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic dark red'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.753
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             680
_exptl_crystal_preparation       ?
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0285
_diffrn_reflns_av_unetI/netI     0.0361
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            12505
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.485
_diffrn_reflns_theta_min         2.427
_diffrn_ambient_temperature      115
_diffrn_detector                 'Image Plate'
_diffrn_detector_area_resol_mean ?
_diffrn_detector_type            'Rigaku IP'
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'R-AXIS RAPID'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_target            Mo
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5241
_reflns_number_total             5819
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_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         0.783
_refine_diff_density_min         -0.433
_refine_diff_density_rms         0.082
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     367
_refine_ls_number_reflns         5819
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0344
_refine_ls_R_factor_gt           0.0280
_refine_ls_restrained_S_all      1.039
_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)+(0.0288P)²+1.1106P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0638
_refine_ls_wR_factor_ref         0.0662
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C1(H1)
2.b Aromatic/amide H refined with riding coordinates:
 C12(H12), C19(H19), C5(H5), C8(H8), C6(H6), C18(H18), C17(H17), C16(H16),
 C7(H7)
2.c Idealised Me refined as rotating group:
 C22(H22A,H22B,H22C), C3(H3A,H3B,H3C), C11(H11A,H11B,H11C), C24(H24A,H24B,
 H24C), C14(H14A,H14B,H14C), C26(H26A,H26B,H26C)
;
_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
Rh1 Rh 0.44160(2) 0.38877(2) 0.13252(2) 0.00937(5) Uani 1 1 d . . . . .
P1 P 0.92705(7) 0.19398(6) 0.66973(4) 0.01901(12) Uani 1 1 d . . . . .
N2 N 0.29453(19) 0.43497(16) 0.01071(13) 0.0116(3) Uani 1 1 d . . . . .
F2 F 0.85907(19) 0.28628(15) 0.73696(11) 0.0326(3) Uani 1 1 d . . . . .
N4 N 0.5727(2) 0.33932(16) 0.25792(13) 0.0128(3) Uani 1 1 d . . . . .
F4 F 0.8542(2) 0.30388(15) 0.57039(11) 0.0343(4) Uani 1 1 d . . . . .
N1 N 0.4220(2) 0.21692(16) 0.14814(13) 0.0127(3) Uani 1 1 d . . . . .
N3 N 0.45032(19) 0.56368(16) 0.12705(13) 0.0112(3) Uani 1 1 d . . . . .
F3 F 0.76558(18) 0.14918(16) 0.68602(15) 0.0415(4) Uani 1 1 d . . . . .
F5 F 0.9945(2) 0.10280(16) 0.60211(13) 0.0390(4) Uani 1 1 d . . . . .
F6 F 1.08856(18) 0.23765(17) 0.65431(14) 0.0428(4) Uani 1 1 d . . . . .
N5 N 0.2395(2) 0.41501(17) 0.22896(13) 0.0142(3) Uani 1 1 d . . . . .
F1 F 1.0009(2) 0.08462(16) 0.76954(13) 0.0440(4) Uani 1 1 d . . . . .
C21 C 0.2554(2) 0.54922(19) -0.04910(15) 0.0118(4) Uani 1 1 d . . . . .
C1 C 0.3437(2) 0.64241(19) -0.04556(15) 0.0116(4) Uani 1 1 d . . . . .
H1 H 0.278102 0.724113 -0.084564 0.014 Uiso 1 1 calc R . . . .
C23 C 0.1594(2) 0.4305(2) 0.29498(17) 0.0171(4) Uani 1 1 d . . . . .
C4 C 0.5180(2) 0.5630(2) 0.21818(15) 0.0125(4) Uani 1 1 d . . . . .
C22 C 0.1241(2) 0.5994(2) -0.12803(16) 0.0166(4) Uani 1 1 d . . . . .
H22A H 0.159126 0.570222 -0.185973 0.025 Uiso 1 1 calc GR . . . .
H22B H 0.097685 0.689334 -0.149232 0.025 Uiso 1 1 calc GR . . . .
H22C H 0.031764 0.570802 -0.099194 0.025 Uiso 1 1 calc GR . . . .
C9 C 0.5714(2) 0.44297(19) 0.29088(15) 0.0125(4) Uani 1 1 d . . . . .
C20 C 0.2369(2) 0.3309(2) 0.00899(16) 0.0133(4) Uani 1 1 d . . . . .
C2 C 0.3866(2) 0.65947(19) 0.05098(15) 0.0113(4) Uani 1 1 d . . . . .
C10 C 0.6606(2) 0.2224(2) 0.29664(16) 0.0151(4) Uani 1 1 d . . . . .
C13 C 0.5311(2) 0.1156(2) 0.20063(16) 0.0144(4) Uani 1 1 d . . . . .
C12 C 0.6432(2) 0.1225(2) 0.26432(16) 0.0155(4) Uani 1 1 d . . . . .
H12 H 0.720225 0.048054 0.290111 0.019 Uiso 1 1 calc R . . . .
C15 C 0.2958(2) 0.2187(2) 0.08923(16) 0.0136(4) Uani 1 1 d . . . . .
C19 C 0.1327(3) 0.3284(2) -0.06265(16) 0.0178(4) Uani 1 1 d . . . . .
H19 H 0.104124 0.397116 -0.120518 0.021 Uiso 1 1 calc R . . . .
C5 C 0.5421(3) 0.6668(2) 0.24045(17) 0.0177(4) Uani 1 1 d . . . . .
H5 H 0.519611 0.744633 0.190979 0.021 Uiso 1 1 calc R . . . .
C3 C 0.3526(3) 0.79433(19) 0.04902(16) 0.0155(4) Uani 1 1 d . . . . .
H3A H 0.303652 0.803131 0.112049 0.023 Uiso 1 1 calc GR . . . .
H3B H 0.281859 0.845886 -0.006885 0.023 Uiso 1 1 calc GR . . . .
H3C H 0.450485 0.819930 0.040647 0.023 Uiso 1 1 calc GR . . . .
C8 C 0.6151(2) 0.4347(2) 0.38847(16) 0.0159(4) Uani 1 1 d . . . . .
H8 H 0.634872 0.357975 0.439404 0.019 Uiso 1 1 calc R . . . .
C11 C 0.7926(3) 0.1891(2) 0.37339(18) 0.0215(5) Uani 1 1 d . . . . .
H11A H 0.839569 0.258588 0.361354 0.032 Uiso 1 1 calc GR . . . .
H11B H 0.872342 0.117354 0.366460 0.032 Uiso 1 1 calc GR . . . .
H11C H 0.749757 0.170287 0.441167 0.032 Uiso 1 1 calc GR . . . .
C6 C 0.5991(3) 0.6551(2) 0.33526(17) 0.0194(4) Uani 1 1 d . . . . .
H6 H 0.617037 0.724344 0.348664 0.023 Uiso 1 1 calc R . . . .
C24 C 0.0585(3) 0.4486(3) 0.38086(19) 0.0267(5) Uani 1 1 d . . . . .
H24A H -0.050921 0.479036 0.358989 0.040 Uiso 1 1 calc GR . . . .
H24B H 0.087803 0.508366 0.406163 0.040 Uiso 1 1 calc GR . . . .
H24C H 0.071986 0.370252 0.434127 0.040 Uiso 1 1 calc GR . . . .
C18 C 0.0714(3) 0.2256(2) -0.04913(18) 0.0215(5) Uani 1 1 d . . . . .
H18 H 0.004547 0.224659 -0.098403 0.026 Uiso 1 1 calc R . . . .
C17 C 0.1102(3) 0.1245(2) 0.03806(18) 0.0204(5) Uani 1 1 d . . . . .
H17 H 0.060971 0.058999 0.050856 0.024 Uiso 1 1 calc R . . . .
C16 C 0.2220(3) 0.1205(2) 0.10628(17) 0.0169(4) Uani 1 1 d . . . . .
H16 H 0.248499 0.051673 0.164248 0.020 Uiso 1 1 calc R . . . .
C7 C 0.6292(2) 0.5404(2) 0.40974(17) 0.0174(4) Uani 1 1 d . . . . .
H7 H 0.659195 0.534173 0.474978 0.021 Uiso 1 1 calc R . . . .
C14 C 0.5472(3) -0.0128(2) 0.19016(18) 0.0192(4) Uani 1 1 d . . . . .
H14A H 0.479678 -0.054904 0.238951 0.029 Uiso 1 1 calc GR . . . .
H14B H 0.655950 -0.060521 0.202482 0.029 Uiso 1 1 calc GR . . . .
H14C H 0.516222 -0.004682 0.122388 0.029 Uiso 1 1 calc GR . . . .
N6 N 0.4211(3) 0.1803(3) 0.4948(2) 0.0436(6) Uani 1 1 d . . . . .
C25 C 0.3490(3) 0.1385(3) 0.4556(2) 0.0286(5) Uani 1 1 d . . . . .
C26 C 0.2560(3) 0.0860(3) 0.4051(2) 0.0312(6) Uani 1 1 d . . . . .
H26A H 0.231520 0.139553 0.336494 0.047 Uiso 1 1 calc GR . . . .
H26B H 0.158798 0.079184 0.441799 0.047 Uiso 1 1 calc GR . . . .
H26C H 0.316230 0.004388 0.403674 0.047 Uiso 1 1 calc GR . . . .


_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 2.0345(17) . ?
Rh1 N4 1.9865(17) . ?
Rh1 N1 1.9883(17) . ?
Rh1 N3 2.0274(17) . ?
Rh1 N5 2.1367(17) . ?
Rh1 C1 2.1522(19) 2_665 ?
P1 F2 1.5982(15) . ?
P1 F4 1.5892(16) . ?
P1 F3 1.5970(16) . ?
P1 F5 1.5920(16) . ?
P1 F6 1.5910(16) . ?
P1 F1 1.5929(17) . ?
N2 C21 1.296(3) . ?
N2 C20 1.429(3) . ?
N4 C9 1.408(3) . ?
N4 C10 1.334(3) . ?
N1 C13 1.341(3) . ?
N1 C15 1.403(3) . ?
N3 C4 1.422(3) . ?
N3 C2 1.298(3) . ?
N5 C23 1.134(3) . ?
C21 C1 1.493(3) . ?
C21 C22 1.506(3) . ?
C1 H1 0.9800 . ?
C1 C2 1.490(3) . ?
C23 C24 1.454(3) . ?
C4 C9 1.423(3) . ?
C4 C5 1.398(3) . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C9 C8 1.391(3) . ?
C20 C15 1.422(3) . ?
C20 C19 1.399(3) . ?
C2 C3 1.506(3) . ?
C10 C12 1.408(3) . ?
C10 C11 1.509(3) . ?
C13 C12 1.391(3) . ?
C13 C14 1.510(3) . ?
C12 H12 0.9300 . ?
C15 C16 1.398(3) . ?
C19 H19 0.9300 . ?
C19 C18 1.385(3) . ?
C5 H5 0.9300 . ?
C5 C6 1.385(3) . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?
C8 H8 0.9300 . ?
C8 C7 1.382(3) . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C6 H6 0.9300 . ?
C6 C7 1.380(3) . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C18 H18 0.9300 . ?
C18 C17 1.383(3) . ?
C17 H17 0.9300 . ?
C17 C16 1.384(3) . ?
C16 H16 0.9300 . ?
C7 H7 0.9300 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
N6 C25 1.136(4) . ?
C25 C26 1.452(4) . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 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
N2 Rh1 N5 90.14(7) . . ?
N2 Rh1 C1 94.20(7) . 2_665 ?
N4 Rh1 N2 175.82(7) . . ?
N4 Rh1 N1 95.12(7) . . ?
N4 Rh1 N3 83.10(7) . . ?
N4 Rh1 N5 86.16(7) . . ?
N4 Rh1 C1 89.50(7) . 2_665 ?
N1 Rh1 N2 82.91(7) . . ?
N1 Rh1 N3 175.26(7) . . ?
N1 Rh1 N5 89.57(7) . . ?
N1 Rh1 C1 90.64(7) . 2_665 ?
N3 Rh1 N2 98.58(7) . . ?
N3 Rh1 N5 85.94(7) . . ?
N3 Rh1 C1 93.73(7) . 2_665 ?
N5 Rh1 C1 175.66(7) . 2_665 ?
F4 P1 F2 89.36(9) . . ?
F4 P1 F3 90.44(10) . . ?
F4 P1 F5 90.28(9) . . ?
F4 P1 F6 90.04(10) . . ?
F4 P1 F1 179.49(11) . . ?
F3 P1 F2 90.25(9) . . ?
F5 P1 F2 179.63(10) . . ?
F5 P1 F3 89.83(10) . . ?
F5 P1 F1 90.02(10) . . ?
F6 P1 F2 89.78(9) . . ?
F6 P1 F3 179.52(12) . . ?
F6 P1 F5 90.15(10) . . ?
F6 P1 F1 89.55(10) . . ?
F1 P1 F2 90.34(9) . . ?
F1 P1 F3 89.97(10) . . ?
C21 N2 Rh1 120.39(14) . . ?
C21 N2 C20 128.19(18) . . ?
C20 N2 Rh1 111.22(13) . . ?
C9 N4 Rh1 111.81(13) . . ?
C10 N4 Rh1 121.29(14) . . ?
C10 N4 C9 126.60(18) . . ?
C13 N1 Rh1 121.09(14) . . ?
C13 N1 C15 126.78(18) . . ?
C15 N1 Rh1 111.72(13) . . ?
C4 N3 Rh1 111.08(13) . . ?
C2 N3 Rh1 120.46(14) . . ?
C2 N3 C4 128.19(18) . . ?
C23 N5 Rh1 163.24(17) . . ?
N2 C21 C1 120.95(18) . . ?
N2 C21 C22 124.76(19) . . ?
C1 C21 C22 114.27(18) . . ?
Rh1 C1 H1 105.5 2_665 . ?
C21 C1 Rh1 107.54(12) . 2_665 ?
C21 C1 H1 105.5 . . ?
C2 C1 Rh1 107.75(12) . 2_665 ?
C2 C1 C21 123.69(17) . . ?
C2 C1 H1 105.5 . . ?
N5 C23 C24 179.0(3) . . ?
N3 C4 C9 115.43(17) . . ?
C5 C4 N3 126.49(19) . . ?
C5 C4 C9 118.03(19) . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
N4 C9 C4 116.17(18) . . ?
C8 C9 N4 124.44(19) . . ?
C8 C9 C4 119.38(19) . . ?
C15 C20 N2 114.74(18) . . ?
C19 C20 N2 127.14(19) . . ?
C19 C20 C15 118.12(19) . . ?
N3 C2 C1 120.82(18) . . ?
N3 C2 C3 125.19(18) . . ?
C1 C2 C3 113.97(17) . . ?
N4 C10 C12 122.33(19) . . ?
N4 C10 C11 122.44(19) . . ?
C12 C10 C11 115.13(19) . . ?
N1 C13 C12 122.36(19) . . ?
N1 C13 C14 122.37(19) . . ?
C12 C13 C14 115.18(19) . . ?
C10 C12 H12 114.3 . . ?
C13 C12 C10 131.4(2) . . ?
C13 C12 H12 114.3 . . ?
N1 C15 C20 116.74(18) . . ?
C16 C15 N1 124.7(2) . . ?
C16 C15 C20 118.52(19) . . ?
C20 C19 H19 119.3 . . ?
C18 C19 C20 121.3(2) . . ?
C18 C19 H19 119.3 . . ?
C4 C5 H5 119.6 . . ?
C6 C5 C4 120.9(2) . . ?
C6 C5 H5 119.6 . . ?
C2 C3 H3A 109.5 . . ?
C2 C3 H3B 109.5 . . ?
C2 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C9 C8 H8 120.0 . . ?
C7 C8 C9 120.0(2) . . ?
C7 C8 H8 120.0 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C5 C6 H6 120.1 . . ?
C7 C6 C5 119.8(2) . . ?
C7 C6 H6 120.1 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C19 C18 H18 120.2 . . ?
C17 C18 C19 119.7(2) . . ?
C17 C18 H18 120.2 . . ?
C18 C17 H17 120.0 . . ?
C18 C17 C16 120.1(2) . . ?
C16 C17 H17 120.0 . . ?
C15 C16 H16 119.5 . . ?
C17 C16 C15 120.9(2) . . ?
C17 C16 H16 119.5 . . ?
C8 C7 H7 119.6 . . ?
C6 C7 C8 120.7(2) . . ?
C6 C7 H7 119.6 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
N6 C25 C26 179.6(4) . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?


_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_shelx_trans_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2240613'
loop_
_audit_author_name
_audit_author_address
'Hideki Sugimoto'
;Osaka University
Japan
;
_audit_update_record             
;
2023-02-08 deposited with the CCDC.	2023-12-14 downloaded from the CCDC.
;
_audit_creation_date             2022-07-22
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C27 H27 N5 Rh, F6 P'
_chemical_formula_sum            'C27 H27 F6 N5 P Rh'
_chemical_formula_weight         669.41
_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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        '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                   13.4897(13)
_cell_length_b                   20.8788(18)
_cell_length_c                   18.4267(19)
_cell_angle_alpha                90
_cell_angle_beta                 98.183(7)
_cell_angle_gamma                90
_cell_volume                     5137.0(9)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    23608
_cell_measurement_temperature    115
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      .033
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.800
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.5374
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'dark red'
_exptl_crystal_colour_lustre     .
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.731
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2704
_exptl_crystal_preparation       ?
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0593
_diffrn_reflns_av_unetI/netI     0.0552
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            23608
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.485
_diffrn_reflns_theta_min         1.810
_diffrn_ambient_temperature      115
_diffrn_detector                 'Image Plate'
_diffrn_detector_area_resol_mean ?
_diffrn_detector_type            'Rigaku IP'
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Rigaku R-AXIS SPIDER IP'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_target            Mo
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4545
_reflns_number_total             5880
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_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         0.907
_refine_diff_density_min         -1.505
_refine_diff_density_rms         0.135
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.112
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     365
_refine_ls_number_reflns         5880
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0872
_refine_ls_R_factor_gt           0.0618
_refine_ls_restrained_S_all      1.112
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+85.5509P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1263
_refine_ls_wR_factor_ref         0.1365
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C1(H1)
2.b Aromatic/amide H refined with riding coordinates:
 C23(H23), C12(H12), C24(H24), C27(H27), C16(H16), C25(H25), C6(H6), C7(H7),
 C5(H5), C17(H17), C26(H26), C8(H8), C18(H18), C19(H19)
2.c Idealised Me refined as rotating group:
 C3(H3A,H3B,H3C), C11(H11A,H11B,H11C), C14(H14A,H14B,H14C), C22(H22A,H22B,H22C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.71309(3) 0.33505(2) 0.54433(2) 0.02148(12) Uani 1 1 d . . . . .
P1 P 0.77037(15) 0.61811(8) 0.70357(9) 0.0370(4) Uani 1 1 d . . . . .
N5 N 0.6815(3) 0.3598(2) 0.6507(2) 0.0233(10) Uani 1 1 d . . . . .
F3 F 0.7355(4) 0.5662(2) 0.6422(3) 0.0625(13) Uani 1 1 d . . . . .
N1 N 0.6164(3) 0.2614(2) 0.5476(2) 0.0211(9) Uani 1 1 d . . . . .
N3 N 0.8026(3) 0.4109(2) 0.5506(2) 0.0226(10) Uani 1 1 d . . . . .
N4 N 0.8382(3) 0.2906(2) 0.5922(2) 0.0241(10) Uani 1 1 d . . . . .
N2 N 0.5898(4) 0.3808(2) 0.4998(3) 0.0263(10) Uani 1 1 d . . . . .
F6 F 0.8025(5) 0.6692(2) 0.7657(3) 0.0885(19) Uani 1 1 d . . . . .
C23 C 0.6695(4) 0.4205(3) 0.6702(3) 0.0269(12) Uani 1 1 d . . . . .
H23 H 0.678728 0.452775 0.636971 0.032 Uiso 1 1 calc R . . . .
C4 C 0.5153(4) 0.2845(3) 0.5403(3) 0.0252(12) Uani 1 1 d . . . . .
F5 F 0.8473(5) 0.6442(3) 0.6567(4) 0.094(2) Uani 1 1 d . . . . .
C12 C 0.6859(4) 0.4686(3) 0.4632(3) 0.0282(12) Uani 1 1 d . . . . .
H12 H 0.683111 0.501773 0.429338 0.034 Uiso 1 1 calc R . . . .
C13 C 0.7790(4) 0.4625(3) 0.5079(3) 0.0252(12) Uani 1 1 d . . . . .
C2 C 0.6483(4) 0.2029(3) 0.5608(3) 0.0229(11) Uani 1 1 d . . . . .
C9 C 0.5014(4) 0.3480(3) 0.5126(3) 0.0260(12) Uani 1 1 d . . . . .
C24 C 0.6442(5) 0.4375(3) 0.7372(3) 0.0327(14) Uani 1 1 d . . . . .
H24 H 0.637749 0.480431 0.749154 0.039 Uiso 1 1 calc R . . . .
C10 C 0.5962(5) 0.4337(3) 0.4604(3) 0.0284(13) Uani 1 1 d . . . . .
C15 C 0.8916(4) 0.4011(3) 0.5989(3) 0.0248(12) Uani 1 1 d . . . . .
C27 C 0.6681(4) 0.3139(3) 0.6994(3) 0.0283(12) Uani 1 1 d . . . . .
H27 H 0.677429 0.271347 0.686834 0.034 Uiso 1 1 calc R . . . .
C16 C 0.9542(5) 0.4496(3) 0.6322(3) 0.0318(13) Uani 1 1 d . . . . .
H16 H 0.933475 0.492050 0.627968 0.038 Uiso 1 1 calc R . . . .
C21 C 0.8384(4) 0.2291(3) 0.6028(3) 0.0233(11) Uani 1 1 d . . . . .
C1 C 0.7561(4) 0.1874(3) 0.5669(3) 0.0235(11) Uani 1 1 d . . . . .
H1 H 0.763965 0.146771 0.593658 0.028 Uiso 1 1 calc R . . . .
C25 C 0.6285(5) 0.3903(3) 0.7866(3) 0.0366(15) Uani 1 1 d . . . . .
H25 H 0.609715 0.400598 0.831799 0.044 Uiso 1 1 calc R . . . .
C6 C 0.3401(4) 0.2807(3) 0.5551(3) 0.0318(13) Uani 1 1 d . . . . .
H6 H 0.286253 0.258589 0.569408 0.038 Uiso 1 1 calc R . . . .
C3 C 0.5821(5) 0.1464(3) 0.5710(3) 0.0288(13) Uani 1 1 d . . . . .
H3A H 0.557884 0.149863 0.617355 0.043 Uiso 1 1 calc GR . . . .
H3B H 0.619872 0.107494 0.569817 0.043 Uiso 1 1 calc GR . . . .
H3C H 0.526410 0.145728 0.532247 0.043 Uiso 1 1 calc GR . . . .
C7 C 0.3271(4) 0.3417(3) 0.5264(3) 0.0331(13) Uani 1 1 d . . . . .
H7 H 0.263782 0.360315 0.520423 0.040 Uiso 1 1 calc R . . . .
C5 C 0.4344(4) 0.2524(3) 0.5623(3) 0.0297(13) Uani 1 1 d . . . . .
H5 H 0.443377 0.211533 0.582221 0.036 Uiso 1 1 calc R . . . .
C11 C 0.5097(5) 0.4589(3) 0.4066(3) 0.0342(14) Uani 1 1 d . . . . .
H11A H 0.465452 0.424265 0.389976 0.051 Uiso 1 1 calc GR . . . .
H11B H 0.534916 0.477926 0.365472 0.051 Uiso 1 1 calc GR . . . .
H11C H 0.473756 0.490577 0.430292 0.051 Uiso 1 1 calc GR . . . .
C14 C 0.8527(5) 0.5161(3) 0.5005(3) 0.0334(14) Uani 1 1 d . . . . .
H14A H 0.847768 0.547828 0.537518 0.050 Uiso 1 1 calc GR . . . .
H14B H 0.837504 0.535335 0.452888 0.050 Uiso 1 1 calc GR . . . .
H14C H 0.919480 0.499094 0.506409 0.050 Uiso 1 1 calc GR . . . .
C17 C 1.0468(5) 0.4346(3) 0.6711(3) 0.0370(15) Uani 1 1 d . . . . .
H17 H 1.088123 0.466938 0.693098 0.044 Uiso 1 1 calc R . . . .
C26 C 0.6412(5) 0.3272(3) 0.7672(3) 0.0352(14) Uani 1 1 d . . . . .
H26 H 0.631752 0.294172 0.799411 0.042 Uiso 1 1 calc R . . . .
C8 C 0.4070(4) 0.3753(3) 0.5065(3) 0.0304(13) Uani 1 1 d . . . . .
H8 H 0.397359 0.416906 0.488837 0.036 Uiso 1 1 calc R . . . .
F4 F 0.6922(4) 0.6686(3) 0.6657(3) 0.097(2) Uani 1 1 d . . . . .
F1 F 0.8462(6) 0.5682(3) 0.7408(3) 0.117(3) Uani 1 1 d . . . . .
C20 C 0.9167(4) 0.3362(3) 0.6161(3) 0.0252(11) Uani 1 1 d . . . . .
C18 C 1.0772(5) 0.3718(4) 0.6772(4) 0.0413(16) Uani 1 1 d . . . . .
H18 H 1.141819 0.362212 0.699394 0.050 Uiso 1 1 calc R . . . .
C22 C 0.9186(5) 0.1935(3) 0.6524(3) 0.0333(14) Uani 1 1 d . . . . .
H22A H 0.977638 0.190228 0.629085 0.050 Uiso 1 1 calc GR . . . .
H22B H 0.894964 0.151395 0.661859 0.050 Uiso 1 1 calc GR . . . .
H22C H 0.934165 0.216330 0.697842 0.050 Uiso 1 1 calc GR . . . .
C19 C 1.0137(5) 0.3227(3) 0.6511(3) 0.0347(14) Uani 1 1 d . . . . .
H19 H 1.035236 0.280393 0.656599 0.042 Uiso 1 1 calc R . . . .
F2 F 0.6869(7) 0.5922(3) 0.7476(4) 0.151(4) 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 N5 2.127(4) . ?
Rh1 N1 2.022(4) . ?
Rh1 N3 1.986(5) . ?
Rh1 N4 2.016(5) . ?
Rh1 N2 1.991(5) . ?
Rh1 C1 2.199(5) 7_656 ?
P1 F3 1.588(4) . ?
P1 F6 1.579(5) . ?
P1 F5 1.541(5) . ?
P1 F4 1.581(6) . ?
P1 F1 1.551(5) . ?
P1 F2 1.574(6) . ?
N5 C23 1.334(7) . ?
N5 C27 1.343(7) . ?
N1 C4 1.434(7) . ?
N1 C2 1.307(7) . ?
N3 C13 1.344(7) . ?
N3 C15 1.405(7) . ?
N4 C21 1.298(7) . ?
N4 C20 1.446(7) . ?
N2 C9 1.423(7) . ?
N2 C10 1.331(7) . ?
C23 C24 1.374(8) . ?
C4 C9 1.424(8) . ?
C4 C5 1.390(8) . ?
C12 C13 1.405(8) . ?
C12 C10 1.406(8) . ?
C13 C14 1.517(8) . ?
C2 C1 1.478(8) . ?
C2 C3 1.508(8) . ?
C9 C8 1.386(8) . ?
C24 C25 1.378(9) . ?
C10 C11 1.515(8) . ?
C15 C16 1.401(8) . ?
C15 C20 1.421(8) . ?
C27 C26 1.378(8) . ?
C16 C17 1.385(9) . ?
C21 C1 1.489(8) . ?
C21 C22 1.509(8) . ?
C25 C26 1.382(9) . ?
C6 C7 1.382(9) . ?
C6 C5 1.390(8) . ?
C7 C8 1.378(8) . ?
C17 C18 1.375(10) . ?
C20 C19 1.403(8) . ?
C18 C19 1.379(9) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N5 Rh1 C1 178.1(2) . 7_656 ?
N1 Rh1 N5 86.73(17) . . ?
N1 Rh1 C1 94.22(19) . 7_656 ?
N3 Rh1 N5 87.29(18) . . ?
N3 Rh1 N1 173.89(17) . . ?
N3 Rh1 N4 82.99(19) . . ?
N3 Rh1 N2 96.10(19) . . ?
N3 Rh1 C1 91.73(19) . 7_656 ?
N4 Rh1 N5 88.50(18) . . ?
N4 Rh1 N1 98.07(19) . . ?
N4 Rh1 C1 92.96(19) . 7_656 ?
N2 Rh1 N5 89.90(18) . . ?
N2 Rh1 N1 82.67(19) . . ?
N2 Rh1 N4 178.19(19) . . ?
N2 Rh1 C1 88.6(2) . 7_656 ?
F6 P1 F3 178.4(3) . . ?
F6 P1 F4 88.1(3) . . ?
F5 P1 F3 89.8(3) . . ?
F5 P1 F6 91.7(3) . . ?
F5 P1 F4 88.7(4) . . ?
F5 P1 F1 91.8(4) . . ?
F5 P1 F2 176.7(5) . . ?
F4 P1 F3 91.7(3) . . ?
F1 P1 F3 88.1(3) . . ?
F1 P1 F6 92.1(3) . . ?
F1 P1 F4 179.4(4) . . ?
F1 P1 F2 90.9(5) . . ?
F2 P1 F3 88.3(3) . . ?
F2 P1 F6 90.1(4) . . ?
F2 P1 F4 88.5(5) . . ?
C23 N5 Rh1 121.8(4) . . ?
C23 N5 C27 117.7(5) . . ?
C27 N5 Rh1 120.4(4) . . ?
C4 N1 Rh1 110.5(3) . . ?
C2 N1 Rh1 121.3(4) . . ?
C2 N1 C4 128.0(5) . . ?
C13 N3 Rh1 120.9(4) . . ?
C13 N3 C15 126.7(5) . . ?
C15 N3 Rh1 112.2(4) . . ?
C21 N4 Rh1 120.3(4) . . ?
C21 N4 C20 128.3(5) . . ?
C20 N4 Rh1 111.2(4) . . ?
C9 N2 Rh1 111.8(3) . . ?
C10 N2 Rh1 120.5(4) . . ?
C10 N2 C9 127.7(5) . . ?
N5 C23 C24 122.9(5) . . ?
C9 C4 N1 114.9(5) . . ?
C5 C4 N1 125.9(5) . . ?
C5 C4 C9 119.0(5) . . ?
C13 C12 C10 131.8(5) . . ?
N3 C13 C12 122.2(5) . . ?
N3 C13 C14 122.7(5) . . ?
C12 C13 C14 115.0(5) . . ?
N1 C2 C1 120.9(5) . . ?
N1 C2 C3 124.7(5) . . ?
C1 C2 C3 114.4(5) . . ?
N2 C9 C4 115.9(5) . . ?
C8 C9 N2 124.8(5) . . ?
C8 C9 C4 119.0(5) . . ?
C23 C24 C25 119.3(6) . . ?
N2 C10 C12 122.2(6) . . ?
N2 C10 C11 122.7(5) . . ?
C12 C10 C11 115.0(5) . . ?
N3 C15 C20 115.8(5) . . ?
C16 C15 N3 125.4(5) . . ?
C16 C15 C20 118.8(5) . . ?
N5 C27 C26 122.7(6) . . ?
C17 C16 C15 120.5(6) . . ?
N4 C21 C1 121.7(5) . . ?
N4 C21 C22 124.3(5) . . ?
C1 C21 C22 114.0(5) . . ?
C2 C1 Rh1 106.9(3) . 7_656 ?
C2 C1 C21 124.7(5) . . ?
C21 C1 Rh1 108.1(3) . 7_656 ?
C24 C25 C26 118.3(6) . . ?
C7 C6 C5 119.5(6) . . ?
C8 C7 C6 120.6(6) . . ?
C4 C5 C6 120.9(6) . . ?
C18 C17 C16 119.6(6) . . ?
C27 C26 C25 119.0(6) . . ?
C7 C8 C9 120.9(6) . . ?
C15 C20 N4 114.8(5) . . ?
C19 C20 N4 127.0(6) . . ?
C19 C20 C15 118.1(5) . . ?
C17 C18 C19 121.2(6) . . ?
C18 C19 C20 120.2(6) . . ?


_olex2_submission_special_instructions 'No special instructions were received'
