# Electronic Supplementary Material (ESI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
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# 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 
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data_3-Cl
_database_code_depnum_ccdc_archive 'CCDC 1573827'
_audit_update_record             
;
2017-09-11 deposited with the CCDC.
2018-01-03 downloaded from the CCDC.
;
_audit_creation_date             2017-09-11
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '2(C23 H29 Cl N2 Rh), 2(F6 P)'
_chemical_formula_sum            'C46 H58 Cl2 F12 N4 P2 Rh2'
_chemical_formula_weight         1233.62
_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'
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                   8.2841(10)
_cell_length_b                   11.8607(16)
_cell_length_c                   25.557(4)
_cell_angle_alpha                95.308(4)
_cell_angle_beta                 94.332(4)
_cell_angle_gamma                93.372(3)
_cell_volume                     2487.8(6)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9969
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      33.071
_cell_measurement_theta_min      2.409
_shelx_estimated_absorpt_T_max   0.790
_shelx_estimated_absorpt_T_min   0.618
_exptl_absorpt_coefficient_mu    0.918
_exptl_absorpt_correction_T_max  0.7466
_exptl_absorpt_correction_T_min  0.6561
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2014/2 (Bruker,2014/2) was used for absorption correction. wR2(int) was 0.0543 before and 0.0423 after correction. The Ratio of minimum to maximum transmission is 0.8788. The λ/2 correction factor is 0.00150.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.647
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1248
_exptl_crystal_size_max          0.58
_exptl_crystal_size_mid          0.33
_exptl_crystal_size_min          0.27
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0325
_diffrn_reflns_av_unetI/netI     0.0476
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.924
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            38264
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.924
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         33.264
_diffrn_reflns_theta_min         1.728
_diffrn_ambient_temperature      199.99
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.924
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                14267
_reflns_number_total             17715
_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       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_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    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.804
_refine_diff_density_min         -0.893
_refine_diff_density_rms         0.100
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     627
_refine_ls_number_reflns         17715
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0595
_refine_ls_R_factor_gt           0.0436
_refine_ls_restrained_S_all      1.054
_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)+(0.0309P)²+2.6660P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0881
_refine_ls_wR_factor_ref         0.0958
_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 Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C10(H10), C11(H11), C12(H12), C13(H13),
 C1B(H1B), C2B(H2B), C3B(H3B), C4B(H4B), C10B(H10B), C11B(H11B), C12B(H12B),
 C13B(H13B)
2.b Idealised Me refined as rotating group:
 C7(H7A,H7B,H7C), C8(H8A,H8B,H8C), C19(H19A,H19B,H19C), C20(H20A,H20B,H20C),
 C21(H21A,H21B,H21C), C22(H22A,H22B,H22C), C23(H23A,H23B,H23C), C7B(H7BA,H7BB,
 H7BC), C8B(H8BA,H8BB,H8BC), C19B(H19D,H19E,H19F), C20B(H20D,H20E,H20F),
 C21B(H21D,H21E,H21F), C22B(H22D,H22E,H22F), C23B(H23D,H23E,H23F)
;
_atom_sites_solution_hydrogens   geom
_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
Rh1 Rh 0.16364(2) 0.73152(2) 0.39094(2) 0.01912(4) Uani 1 1 d . . . . .
Cl1 Cl -0.09182(7) 0.75937(6) 0.42823(3) 0.03306(14) Uani 1 1 d . . . . .
N2 N 0.0451(2) 0.57979(17) 0.35089(8) 0.0221(4) Uani 1 1 d . . . . .
N1 N 0.2094(2) 0.63189(18) 0.45501(8) 0.0237(4) Uani 1 1 d . . . . .
C1 C 0.2191(3) 0.6923(3) 0.50264(11) 0.0329(6) Uani 1 1 d . . . . .
H1 H 0.2191 0.7726 0.5038 0.039 Uiso 1 1 calc R . . . .
C2 C 0.2291(3) 0.6443(3) 0.54965(11) 0.0365(6) Uani 1 1 d . . . . .
H2 H 0.2406 0.6901 0.5824 0.044 Uiso 1 1 calc R . . . .
C3 C 0.2220(3) 0.5276(3) 0.54757(11) 0.0370(7) Uani 1 1 d . . . . .
H3 H 0.2250 0.4911 0.5792 0.044 Uiso 1 1 calc R . . . .
C4 C 0.2106(3) 0.4644(3) 0.49931(11) 0.0319(6) Uani 1 1 d . . . . .
H4 H 0.2047 0.3839 0.4976 0.038 Uiso 1 1 calc R . . . .
C5 C 0.2077(3) 0.5176(2) 0.45285(10) 0.0242(5) Uani 1 1 d . . . . .
C6 C 0.2121(3) 0.4493(2) 0.39912(10) 0.0250(5) Uani 1 1 d . . . . .
C7 C 0.3724(3) 0.4852(2) 0.37613(11) 0.0314(6) Uani 1 1 d . . . . .
H7A H 0.3803 0.4406 0.3423 0.047 Uiso 1 1 calc GR . . . .
H7B H 0.4643 0.4718 0.4007 0.047 Uiso 1 1 calc GR . . . .
H7C H 0.3741 0.5660 0.3708 0.047 Uiso 1 1 calc GR . . . .
C8 C 0.2157(4) 0.3216(2) 0.40544(12) 0.0367(6) Uani 1 1 d . . . . .
H8A H 0.1163 0.2953 0.4204 0.055 Uiso 1 1 calc GR . . . .
H8B H 0.3101 0.3084 0.4290 0.055 Uiso 1 1 calc GR . . . .
H8C H 0.2230 0.2797 0.3709 0.055 Uiso 1 1 calc GR . . . .
C9 C 0.0691(3) 0.4719(2) 0.36082(9) 0.0224(4) Uani 1 1 d . . . . .
C10 C -0.0352(3) 0.3834(2) 0.33535(10) 0.0297(5) Uani 1 1 d . . . . .
H10 H -0.0186 0.3075 0.3423 0.036 Uiso 1 1 calc R . . . .
C11 C -0.1622(3) 0.4051(2) 0.30018(11) 0.0335(6) Uani 1 1 d . . . . .
H11 H -0.2337 0.3448 0.2833 0.040 Uiso 1 1 calc R . . . .
C12 C -0.1835(3) 0.5152(3) 0.29001(11) 0.0328(6) Uani 1 1 d . . . . .
H12 H -0.2683 0.5324 0.2655 0.039 Uiso 1 1 calc R . . . .
C13 C -0.0790(3) 0.6003(2) 0.31624(10) 0.0287(5) Uani 1 1 d . . . . .
H13 H -0.0948 0.6766 0.3097 0.034 Uiso 1 1 calc R . . . .
C14 C 0.3822(3) 0.7861(2) 0.35438(10) 0.0252(5) Uani 1 1 d . . . . .
C15 C 0.3791(3) 0.8481(2) 0.40489(11) 0.0276(5) Uani 1 1 d . . . . .
C16 C 0.2367(3) 0.9096(2) 0.40489(11) 0.0287(5) Uani 1 1 d . . . . .
C17 C 0.1510(3) 0.8871(2) 0.35343(12) 0.0300(5) Uani 1 1 d . . . . .
C18 C 0.2414(3) 0.8119(2) 0.32244(10) 0.0281(5) Uani 1 1 d . . . . .
C19 C 0.5235(3) 0.7275(3) 0.33388(12) 0.0353(6) Uani 1 1 d . . . . .
H19A H 0.5863 0.6982 0.3631 0.053 Uiso 1 1 calc GR . . . .
H19B H 0.5927 0.7815 0.3174 0.053 Uiso 1 1 calc GR . . . .
H19C H 0.4837 0.6644 0.3077 0.053 Uiso 1 1 calc GR . . . .
C20 C 0.5093(3) 0.8501(3) 0.44900(13) 0.0419(7) Uani 1 1 d . . . . .
H20A H 0.4679 0.8805 0.4820 0.063 Uiso 1 1 calc GR . . . .
H20B H 0.6032 0.8984 0.4415 0.063 Uiso 1 1 calc GR . . . .
H20C H 0.5419 0.7728 0.4524 0.063 Uiso 1 1 calc GR . . . .
C21 C 0.1901(4) 0.9921(3) 0.44805(14) 0.0454(8) Uani 1 1 d . . . . .
H21A H 0.0716 0.9897 0.4479 0.068 Uiso 1 1 calc GR . . . .
H21B H 0.2315 1.0688 0.4424 0.068 Uiso 1 1 calc GR . . . .
H21C H 0.2367 0.9720 0.4821 0.068 Uiso 1 1 calc GR . . . .
C22 C 0.0016(4) 0.9408(3) 0.33529(15) 0.0465(8) Uani 1 1 d . . . . .
H22A H -0.0586 0.8910 0.3068 0.070 Uiso 1 1 calc GR . . . .
H22B H 0.0316 1.0138 0.3224 0.070 Uiso 1 1 calc GR . . . .
H22C H -0.0665 0.9530 0.3647 0.070 Uiso 1 1 calc GR . . . .
C23 C 0.2058(4) 0.7716(3) 0.26554(12) 0.0470(8) Uani 1 1 d . . . . .
H23A H 0.2278 0.6913 0.2598 0.070 Uiso 1 1 calc GR . . . .
H23B H 0.2746 0.8162 0.2444 0.070 Uiso 1 1 calc GR . . . .
H23C H 0.0914 0.7807 0.2550 0.070 Uiso 1 1 calc GR . . . .
Rh1B Rh 0.21191(2) 0.27802(2) 0.10786(2) 0.01766(4) Uani 1 1 d . . . . .
Cl1B Cl -0.05823(7) 0.29186(6) 0.06782(3) 0.03027(13) Uani 1 1 d . . . . .
N1B N 0.1034(2) 0.15282(17) 0.15116(8) 0.0226(4) Uani 1 1 d . . . . .
N2B N 0.2287(2) 0.14271(17) 0.04851(8) 0.0221(4) Uani 1 1 d . . . . .
C1B C -0.0023(3) 0.1946(2) 0.18409(10) 0.0286(5) Uani 1 1 d . . . . .
H1B H -0.0066 0.2747 0.1897 0.034 Uiso 1 1 calc R . . . .
C2B C -0.1049(3) 0.1272(3) 0.21018(11) 0.0353(6) Uani 1 1 d . . . . .
H2B H -0.1753 0.1600 0.2341 0.042 Uiso 1 1 calc R . . . .
C3B C -0.1024(3) 0.0115(3) 0.20050(11) 0.0354(6) Uani 1 1 d . . . . .
H3B H -0.1749 -0.0375 0.2164 0.042 Uiso 1 1 calc R . . . .
C4B C 0.0071(3) -0.0325(2) 0.16736(10) 0.0291(5) Uani 1 1 d . . . . .
H4B H 0.0107 -0.1124 0.1608 0.035 Uiso 1 1 calc R . . . .
C5B C 0.1127(3) 0.0391(2) 0.14339(9) 0.0217(4) Uani 1 1 d . . . . .
C6B C 0.2436(3) -0.0082(2) 0.11003(10) 0.0238(5) Uani 1 1 d . . . . .
C7B C 0.4110(3) 0.0357(2) 0.13731(11) 0.0310(5) Uani 1 1 d . . . . .
H7BA H 0.4216 0.1187 0.1389 0.046 Uiso 1 1 calc GR . . . .
H7BB H 0.4967 0.0039 0.1172 0.046 Uiso 1 1 calc GR . . . .
H7BC H 0.4211 0.0124 0.1732 0.046 Uiso 1 1 calc GR . . . .
C8B C 0.2380(4) -0.1387(2) 0.10749(12) 0.0366(6) Uani 1 1 d . . . . .
H8BA H 0.2506 -0.1619 0.1433 0.055 Uiso 1 1 calc GR . . . .
H8BB H 0.3261 -0.1666 0.0874 0.055 Uiso 1 1 calc GR . . . .
H8BC H 0.1336 -0.1706 0.0901 0.055 Uiso 1 1 calc GR . . . .
C9B C 0.2286(3) 0.0306(2) 0.05420(10) 0.0225(4) Uani 1 1 d . . . . .
C10B C 0.2204(3) -0.0472(2) 0.00982(11) 0.0324(6) Uani 1 1 d . . . . .
H10B H 0.2156 -0.1262 0.0138 0.039 Uiso 1 1 calc R . . . .
C11B C 0.2192(4) -0.0111(3) -0.04010(11) 0.0371(6) Uani 1 1 d . . . . .
H11B H 0.2157 -0.0646 -0.0703 0.045 Uiso 1 1 calc R . . . .
C12B C 0.2232(4) 0.1031(3) -0.04556(11) 0.0351(6) Uani 1 1 d . . . . .
H12B H 0.2254 0.1305 -0.0793 0.042 Uiso 1 1 calc R . . . .
C13B C 0.2239(3) 0.1766(2) -0.00050(10) 0.0298(5) Uani 1 1 d . . . . .
H13B H 0.2207 0.2555 -0.0041 0.036 Uiso 1 1 calc R . . . .
C14B C 0.4518(3) 0.3471(2) 0.14158(10) 0.0234(5) Uani 1 1 d . . . . .
C15B C 0.3303(3) 0.3910(2) 0.17364(10) 0.0274(5) Uani 1 1 d . . . . .
C16B C 0.2240(3) 0.4520(2) 0.14260(11) 0.0289(5) Uani 1 1 d . . . . .
C17B C 0.2808(3) 0.4482(2) 0.09029(11) 0.0277(5) Uani 1 1 d . . . . .
C18B C 0.4205(3) 0.3846(2) 0.09029(10) 0.0252(5) Uani 1 1 d . . . . .
C19B C 0.6021(3) 0.2959(2) 0.16095(12) 0.0342(6) Uani 1 1 d . . . . .
H19D H 0.5784 0.2502 0.1898 0.051 Uiso 1 1 calc GR . . . .
H19E H 0.6854 0.3564 0.1737 0.051 Uiso 1 1 calc GR . . . .
H19F H 0.6416 0.2475 0.1321 0.051 Uiso 1 1 calc GR . . . .
C20B C 0.3263(4) 0.3788(3) 0.23090(12) 0.0477(8) Uani 1 1 d . . . . .
H20D H 0.2176 0.3927 0.2417 0.072 Uiso 1 1 calc GR . . . .
H20E H 0.4059 0.4339 0.2509 0.072 Uiso 1 1 calc GR . . . .
H20F H 0.3527 0.3018 0.2378 0.072 Uiso 1 1 calc GR . . . .
C21B C 0.0859(4) 0.5172(3) 0.16012(16) 0.0495(9) Uani 1 1 d . . . . .
H21D H -0.0069 0.5023 0.1338 0.074 Uiso 1 1 calc GR . . . .
H21E H 0.1186 0.5985 0.1641 0.074 Uiso 1 1 calc GR . . . .
H21F H 0.0553 0.4937 0.1940 0.074 Uiso 1 1 calc GR . . . .
C22B C 0.2092(4) 0.5091(3) 0.04630(15) 0.0456(8) Uani 1 1 d . . . . .
H22D H 0.2354 0.4717 0.0125 0.068 Uiso 1 1 calc GR . . . .
H22E H 0.2542 0.5880 0.0501 0.068 Uiso 1 1 calc GR . . . .
H22F H 0.0911 0.5077 0.0475 0.068 Uiso 1 1 calc GR . . . .
C23B C 0.5263(3) 0.3652(3) 0.04627(12) 0.0413(7) Uani 1 1 d . . . . .
H23D H 0.5569 0.2864 0.0439 0.062 Uiso 1 1 calc GR . . . .
H23E H 0.6243 0.4166 0.0528 0.062 Uiso 1 1 calc GR . . . .
H23F H 0.4675 0.3797 0.0131 0.062 Uiso 1 1 calc GR . . . .
P1B P 0.34509(9) 0.31436(6) -0.16127(3) 0.03463(16) Uani 1 1 d . . . . .
F1B F 0.3048(3) 0.44310(16) -0.16363(10) 0.0621(6) Uani 1 1 d . . . . .
F2B F 0.5036(4) 0.3393(3) -0.18891(14) 0.0998(10) Uani 1 1 d . . . . .
F3B F 0.3810(3) 0.18557(17) -0.15758(10) 0.0624(6) Uani 1 1 d . . . . .
F4B F 0.1825(3) 0.2907(2) -0.13404(14) 0.0888(9) Uani 1 1 d . . . . .
F5B F 0.4424(4) 0.3466(2) -0.10596(10) 0.0829(9) Uani 1 1 d . . . . .
F6B F 0.2461(4) 0.2815(2) -0.21688(11) 0.0957(11) Uani 1 1 d . . . . .
P1 P 0.55308(10) 0.11745(7) 0.32917(4) 0.03853(18) Uani 1 1 d . . . . .
F1 F 0.5580(3) 0.1357(3) 0.26871(10) 0.0862(9) Uani 1 1 d . . . . .
F2 F 0.5787(4) -0.0109(2) 0.31929(18) 0.1229(14) Uani 1 1 d . . . . .
F3 F 0.5481(4) 0.1066(3) 0.39008(12) 0.1157(12) Uani 1 1 d . . . . .
F4 F 0.5312(3) 0.24906(18) 0.34088(12) 0.0712(7) Uani 1 1 d . . . . .
F5 F 0.7449(2) 0.14580(19) 0.33681(10) 0.0628(6) Uani 1 1 d . . . . .
F6 F 0.3635(3) 0.0914(2) 0.32182(12) 0.0796(8) 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 Cl1 2.4134(7) . ?
Rh1 N2 2.133(2) . ?
Rh1 N1 2.130(2) . ?
Rh1 C14 2.191(2) . ?
Rh1 C15 2.179(2) . ?
Rh1 C16 2.153(3) . ?
Rh1 C17 2.161(3) . ?
Rh1 C18 2.190(3) . ?
N2 C9 1.350(3) . ?
N2 C13 1.354(3) . ?
N1 C1 1.348(3) . ?
N1 C5 1.350(3) . ?
C1 H1 0.9500 . ?
C1 C2 1.375(4) . ?
C2 H2 0.9500 . ?
C2 C3 1.378(5) . ?
C3 H3 0.9500 . ?
C3 C4 1.377(4) . ?
C4 H4 0.9500 . ?
C4 C5 1.395(3) . ?
C5 C6 1.533(4) . ?
C6 C7 1.545(4) . ?
C6 C8 1.540(4) . ?
C6 C9 1.531(3) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 C10 1.398(3) . ?
C10 H10 0.9500 . ?
C10 C11 1.383(4) . ?
C11 H11 0.9500 . ?
C11 C12 1.374(4) . ?
C12 H12 0.9500 . ?
C12 C13 1.379(4) . ?
C13 H13 0.9500 . ?
C14 C15 1.428(4) . ?
C14 C18 1.437(4) . ?
C14 C19 1.500(4) . ?
C15 C16 1.424(4) . ?
C15 C20 1.497(4) . ?
C16 C17 1.441(4) . ?
C16 C21 1.494(4) . ?
C17 C18 1.421(4) . ?
C17 C22 1.487(4) . ?
C18 C23 1.490(4) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
Rh1B Cl1B 2.4105(6) . ?
Rh1B N1B 2.129(2) . ?
Rh1B N2B 2.122(2) . ?
Rh1B C14B 2.187(2) . ?
Rh1B C15B 2.182(2) . ?
Rh1B C16B 2.163(3) . ?
Rh1B C17B 2.162(2) . ?
Rh1B C18B 2.180(2) . ?
N1B C1B 1.344(3) . ?
N1B C5B 1.353(3) . ?
N2B C9B 1.351(3) . ?
N2B C13B 1.349(3) . ?
C1B H1B 0.9500 . ?
C1B C2B 1.383(4) . ?
C2B H2B 0.9500 . ?
C2B C3B 1.374(4) . ?
C3B H3B 0.9500 . ?
C3B C4B 1.379(4) . ?
C4B H4B 0.9500 . ?
C4B C5B 1.397(3) . ?
C5B C6B 1.529(3) . ?
C6B C7B 1.544(4) . ?
C6B C8B 1.541(4) . ?
C6B C9B 1.538(3) . ?
C7B H7BA 0.9800 . ?
C7B H7BB 0.9800 . ?
C7B H7BC 0.9800 . ?
C8B H8BA 0.9800 . ?
C8B H8BB 0.9800 . ?
C8B H8BC 0.9800 . ?
C9B C10B 1.390(3) . ?
C10B H10B 0.9500 . ?
C10B C11B 1.383(4) . ?
C11B H11B 0.9500 . ?
C11B C12B 1.373(4) . ?
C12B H12B 0.9500 . ?
C12B C13B 1.378(4) . ?
C13B H13B 0.9500 . ?
C14B C15B 1.436(4) . ?
C14B C18B 1.433(3) . ?
C14B C19B 1.489(3) . ?
C15B C16B 1.415(4) . ?
C15B C20B 1.487(4) . ?
C16B C17B 1.448(4) . ?
C16B C21B 1.492(4) . ?
C17B C18B 1.418(3) . ?
C17B C22B 1.496(4) . ?
C18B C23B 1.487(4) . ?
C19B H19D 0.9800 . ?
C19B H19E 0.9800 . ?
C19B H19F 0.9800 . ?
C20B H20D 0.9800 . ?
C20B H20E 0.9800 . ?
C20B H20F 0.9800 . ?
C21B H21D 0.9800 . ?
C21B H21E 0.9800 . ?
C21B H21F 0.9800 . ?
C22B H22D 0.9800 . ?
C22B H22E 0.9800 . ?
C22B H22F 0.9800 . ?
C23B H23D 0.9800 . ?
C23B H23E 0.9800 . ?
C23B H23F 0.9800 . ?
P1B F1B 1.588(2) . ?
P1B F2B 1.563(3) . ?
P1B F3B 1.583(2) . ?
P1B F4B 1.584(3) . ?
P1B F5B 1.576(2) . ?
P1B F6B 1.590(2) . ?
P1 F1 1.583(3) . ?
P1 F2 1.550(3) . ?
P1 F3 1.577(3) . ?
P1 F4 1.586(2) . ?
P1 F5 1.599(2) . ?
P1 F6 1.576(2) . ?

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 Cl1 85.54(6) . . ?
N2 Rh1 C14 112.40(9) . . ?
N2 Rh1 C15 148.96(9) . . ?
N2 Rh1 C16 157.50(9) . . ?
N2 Rh1 C17 118.57(9) . . ?
N2 Rh1 C18 98.80(9) . . ?
N1 Rh1 Cl1 84.40(6) . . ?
N1 Rh1 N2 85.44(8) . . ?
N1 Rh1 C14 113.95(9) . . ?
N1 Rh1 C15 98.43(9) . . ?
N1 Rh1 C16 116.61(10) . . ?
N1 Rh1 C17 155.31(10) . . ?
N1 Rh1 C18 151.26(9) . . ?
C14 Rh1 Cl1 154.46(7) . . ?
C15 Rh1 Cl1 125.43(7) . . ?
C15 Rh1 C14 38.14(10) . . ?
C15 Rh1 C18 63.85(10) . . ?
C16 Rh1 Cl1 91.94(7) . . ?
C16 Rh1 C14 64.40(10) . . ?
C16 Rh1 C15 38.38(10) . . ?
C16 Rh1 C17 39.04(11) . . ?
C16 Rh1 C18 64.37(10) . . ?
C17 Rh1 Cl1 91.43(7) . . ?
C17 Rh1 C14 64.35(10) . . ?
C17 Rh1 C15 64.46(10) . . ?
C17 Rh1 C18 38.13(10) . . ?
C18 Rh1 Cl1 124.16(7) . . ?
C18 Rh1 C14 38.29(9) . . ?
C9 N2 Rh1 127.40(16) . . ?
C9 N2 C13 119.4(2) . . ?
C13 N2 Rh1 112.69(17) . . ?
C1 N1 Rh1 113.53(18) . . ?
C1 N1 C5 118.7(2) . . ?
C5 N1 Rh1 127.15(16) . . ?
N1 C1 H1 118.1 . . ?
N1 C1 C2 123.8(3) . . ?
C2 C1 H1 118.1 . . ?
C1 C2 H2 121.2 . . ?
C1 C2 C3 117.7(3) . . ?
C3 C2 H2 121.2 . . ?
C2 C3 H3 120.3 . . ?
C4 C3 C2 119.4(3) . . ?
C4 C3 H3 120.3 . . ?
C3 C4 H4 119.8 . . ?
C3 C4 C5 120.5(3) . . ?
C5 C4 H4 119.8 . . ?
N1 C5 C4 119.9(2) . . ?
N1 C5 C6 118.8(2) . . ?
C4 C5 C6 121.2(2) . . ?
C5 C6 C7 107.7(2) . . ?
C5 C6 C8 110.7(2) . . ?
C8 C6 C7 106.8(2) . . ?
C9 C6 C5 111.70(19) . . ?
C9 C6 C7 109.1(2) . . ?
C9 C6 C8 110.6(2) . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C6 C8 H8A 109.5 . . ?
C6 C8 H8B 109.5 . . ?
C6 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
N2 C9 C6 119.1(2) . . ?
N2 C9 C10 119.4(2) . . ?
C10 C9 C6 121.5(2) . . ?
C9 C10 H10 119.6 . . ?
C11 C10 C9 120.8(3) . . ?
C11 C10 H10 119.6 . . ?
C10 C11 H11 120.5 . . ?
C12 C11 C10 119.0(2) . . ?
C12 C11 H11 120.5 . . ?
C11 C12 H12 120.7 . . ?
C11 C12 C13 118.5(3) . . ?
C13 C12 H12 120.7 . . ?
N2 C13 C12 122.8(2) . . ?
N2 C13 H13 118.6 . . ?
C12 C13 H13 118.6 . . ?
C15 C14 Rh1 70.47(14) . . ?
C15 C14 C18 107.5(2) . . ?
C15 C14 C19 126.2(2) . . ?
C18 C14 Rh1 70.83(14) . . ?
C18 C14 C19 124.8(2) . . ?
C19 C14 Rh1 134.77(19) . . ?
C14 C15 Rh1 71.39(14) . . ?
C14 C15 C20 124.7(2) . . ?
C16 C15 Rh1 69.82(14) . . ?
C16 C15 C14 108.5(2) . . ?
C16 C15 C20 126.7(3) . . ?
C20 C15 Rh1 126.6(2) . . ?
C15 C16 Rh1 71.81(14) . . ?
C15 C16 C17 107.8(2) . . ?
C15 C16 C21 126.9(3) . . ?
C17 C16 Rh1 70.78(14) . . ?
C17 C16 C21 125.1(3) . . ?
C21 C16 Rh1 127.4(2) . . ?
C16 C17 Rh1 70.18(14) . . ?
C16 C17 C22 125.4(3) . . ?
C18 C17 Rh1 72.06(15) . . ?
C18 C17 C16 107.8(2) . . ?
C18 C17 C22 126.6(3) . . ?
C22 C17 Rh1 126.9(2) . . ?
C14 C18 Rh1 70.88(14) . . ?
C14 C18 C23 124.6(3) . . ?
C17 C18 Rh1 69.81(15) . . ?
C17 C18 C14 108.3(2) . . ?
C17 C18 C23 126.9(3) . . ?
C23 C18 Rh1 128.2(2) . . ?
C14 C19 H19A 109.5 . . ?
C14 C19 H19B 109.5 . . ?
C14 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C15 C20 H20A 109.5 . . ?
C15 C20 H20B 109.5 . . ?
C15 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C16 C21 H21A 109.5 . . ?
C16 C21 H21B 109.5 . . ?
C16 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C17 C22 H22A 109.5 . . ?
C17 C22 H22B 109.5 . . ?
C17 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C18 C23 H23A 109.5 . . ?
C18 C23 H23B 109.5 . . ?
C18 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
N1B Rh1B Cl1B 85.44(6) . . ?
N1B Rh1B C14B 114.14(8) . . ?
N1B Rh1B C15B 99.02(9) . . ?
N1B Rh1B C16B 116.99(9) . . ?
N1B Rh1B C17B 155.76(10) . . ?
N1B Rh1B C18B 151.40(9) . . ?
N2B Rh1B Cl1B 85.62(6) . . ?
N2B Rh1B N1B 85.58(8) . . ?
N2B Rh1B C14B 111.53(9) . . ?
N2B Rh1B C15B 148.54(9) . . ?
N2B Rh1B C16B 157.09(10) . . ?
N2B Rh1B C17B 118.02(10) . . ?
N2B Rh1B C18B 97.97(9) . . ?
C14B Rh1B Cl1B 154.11(7) . . ?
C15B Rh1B Cl1B 125.65(7) . . ?
C15B Rh1B C14B 38.39(9) . . ?
C16B Rh1B Cl1B 92.02(7) . . ?
C16B Rh1B C14B 64.50(9) . . ?
C16B Rh1B C15B 38.00(10) . . ?
C16B Rh1B C18B 64.43(10) . . ?
C17B Rh1B Cl1B 90.66(7) . . ?
C17B Rh1B C14B 64.43(9) . . ?
C17B Rh1B C15B 64.23(10) . . ?
C17B Rh1B C16B 39.13(11) . . ?
C17B Rh1B C18B 38.12(9) . . ?
C18B Rh1B Cl1B 123.06(7) . . ?
C18B Rh1B C14B 38.32(9) . . ?
C18B Rh1B C15B 63.84(10) . . ?
C1B N1B Rh1B 113.18(17) . . ?
C1B N1B C5B 118.9(2) . . ?
C5B N1B Rh1B 127.16(16) . . ?
C9B N2B Rh1B 127.81(16) . . ?
C13B N2B Rh1B 113.05(17) . . ?
C13B N2B C9B 118.9(2) . . ?
N1B C1B H1B 118.3 . . ?
N1B C1B C2B 123.4(3) . . ?
C2B C1B H1B 118.3 . . ?
C1B C2B H2B 120.9 . . ?
C3B C2B C1B 118.2(3) . . ?
C3B C2B H2B 120.9 . . ?
C2B C3B H3B 120.5 . . ?
C2B C3B C4B 119.0(2) . . ?
C4B C3B H3B 120.5 . . ?
C3B C4B H4B 119.6 . . ?
C3B C4B C5B 120.8(3) . . ?
C5B C4B H4B 119.6 . . ?
N1B C5B C4B 119.6(2) . . ?
N1B C5B C6B 119.0(2) . . ?
C4B C5B C6B 121.4(2) . . ?
C5B C6B C7B 108.3(2) . . ?
C5B C6B C8B 111.0(2) . . ?
C5B C6B C9B 111.50(19) . . ?
C8B C6B C7B 106.5(2) . . ?
C9B C6B C7B 108.8(2) . . ?
C9B C6B C8B 110.5(2) . . ?
C6B C7B H7BA 109.5 . . ?
C6B C7B H7BB 109.5 . . ?
C6B C7B H7BC 109.5 . . ?
H7BA C7B H7BB 109.5 . . ?
H7BA C7B H7BC 109.5 . . ?
H7BB C7B H7BC 109.5 . . ?
C6B C8B H8BA 109.5 . . ?
C6B C8B H8BB 109.5 . . ?
C6B C8B H8BC 109.5 . . ?
H8BA C8B H8BB 109.5 . . ?
H8BA C8B H8BC 109.5 . . ?
H8BB C8B H8BC 109.5 . . ?
N2B C9B C6B 119.1(2) . . ?
N2B C9B C10B 119.7(2) . . ?
C10B C9B C6B 121.1(2) . . ?
C9B C10B H10B 119.6 . . ?
C11B C10B C9B 120.7(3) . . ?
C11B C10B H10B 119.6 . . ?
C10B C11B H11B 120.4 . . ?
C12B C11B C10B 119.2(3) . . ?
C12B C11B H11B 120.4 . . ?
C11B C12B H12B 121.1 . . ?
C11B C12B C13B 117.8(3) . . ?
C13B C12B H12B 121.1 . . ?
N2B C13B C12B 123.6(3) . . ?
N2B C13B H13B 118.2 . . ?
C12B C13B H13B 118.2 . . ?
C15B C14B Rh1B 70.65(13) . . ?
C15B C14B C19B 126.0(2) . . ?
C18B C14B Rh1B 70.60(13) . . ?
C18B C14B C15B 107.0(2) . . ?
C18B C14B C19B 125.7(2) . . ?
C19B C14B Rh1B 134.25(18) . . ?
C14B C15B Rh1B 70.96(14) . . ?
C14B C15B C20B 124.3(3) . . ?
C16B C15B Rh1B 70.26(14) . . ?
C16B C15B C14B 109.0(2) . . ?
C16B C15B C20B 126.6(3) . . ?
C20B C15B Rh1B 127.7(2) . . ?
C15B C16B Rh1B 71.74(15) . . ?
C15B C16B C17B 107.5(2) . . ?
C15B C16B C21B 127.6(3) . . ?
C17B C16B Rh1B 70.38(14) . . ?
C17B C16B C21B 124.7(3) . . ?
C21B C16B Rh1B 126.9(2) . . ?
C16B C17B Rh1B 70.49(14) . . ?
C16B C17B C22B 124.7(3) . . ?
C18B C17B Rh1B 71.65(14) . . ?
C18B C17B C16B 107.8(2) . . ?
C18B C17B C22B 127.4(3) . . ?
C22B C17B Rh1B 126.86(19) . . ?
C14B C18B Rh1B 71.08(13) . . ?
C14B C18B C23B 124.3(2) . . ?
C17B C18B Rh1B 70.23(13) . . ?
C17B C18B C14B 108.8(2) . . ?
C17B C18B C23B 126.8(2) . . ?
C23B C18B Rh1B 127.7(2) . . ?
C14B C19B H19D 109.5 . . ?
C14B C19B H19E 109.5 . . ?
C14B C19B H19F 109.5 . . ?
H19D C19B H19E 109.5 . . ?
H19D C19B H19F 109.5 . . ?
H19E C19B H19F 109.5 . . ?
C15B C20B H20D 109.5 . . ?
C15B C20B H20E 109.5 . . ?
C15B C20B H20F 109.5 . . ?
H20D C20B H20E 109.5 . . ?
H20D C20B H20F 109.5 . . ?
H20E C20B H20F 109.5 . . ?
C16B C21B H21D 109.5 . . ?
C16B C21B H21E 109.5 . . ?
C16B C21B H21F 109.5 . . ?
H21D C21B H21E 109.5 . . ?
H21D C21B H21F 109.5 . . ?
H21E C21B H21F 109.5 . . ?
C17B C22B H22D 109.5 . . ?
C17B C22B H22E 109.5 . . ?
C17B C22B H22F 109.5 . . ?
H22D C22B H22E 109.5 . . ?
H22D C22B H22F 109.5 . . ?
H22E C22B H22F 109.5 . . ?
C18B C23B H23D 109.5 . . ?
C18B C23B H23E 109.5 . . ?
C18B C23B H23F 109.5 . . ?
H23D C23B H23E 109.5 . . ?
H23D C23B H23F 109.5 . . ?
H23E C23B H23F 109.5 . . ?
F1B P1B F6B 90.25(14) . . ?
F2B P1B F1B 89.24(15) . . ?
F2B P1B F3B 92.58(15) . . ?
F2B P1B F4B 178.80(18) . . ?
F2B P1B F5B 89.58(19) . . ?
F2B P1B F6B 90.8(2) . . ?
F3B P1B F1B 178.12(15) . . ?
F3B P1B F4B 88.34(13) . . ?
F3B P1B F6B 90.19(13) . . ?
F4B P1B F1B 89.84(13) . . ?
F4B P1B F6B 88.47(19) . . ?
F5B P1B F1B 89.86(13) . . ?
F5B P1B F3B 89.69(13) . . ?
F5B P1B F4B 91.18(18) . . ?
F5B P1B F6B 179.64(19) . . ?
F1 P1 F4 88.57(16) . . ?
F1 P1 F5 89.01(14) . . ?
F2 P1 F1 92.7(2) . . ?
F2 P1 F3 90.4(2) . . ?
F2 P1 F4 178.1(2) . . ?
F2 P1 F5 90.54(15) . . ?
F2 P1 F6 90.30(16) . . ?
F3 P1 F1 176.8(2) . . ?
F3 P1 F4 88.25(19) . . ?
F3 P1 F5 90.54(17) . . ?
F4 P1 F5 88.16(12) . . ?
F6 P1 F1 90.97(16) . . ?
F6 P1 F3 89.42(17) . . ?
F6 P1 F4 91.01(14) . . ?
F6 P1 F5 179.16(15) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Rh1 N2 C9 C6 -9.7(3) . . . . ?
Rh1 N2 C9 C10 171.25(18) . . . . ?
Rh1 N2 C13 C12 -173.0(2) . . . . ?
Rh1 N1 C1 C2 172.2(2) . . . . ?
Rh1 N1 C5 C4 -168.18(18) . . . . ?
Rh1 N1 C5 C6 15.2(3) . . . . ?
Rh1 C14 C15 C16 -60.20(18) . . . . ?
Rh1 C14 C15 C20 122.1(3) . . . . ?
Rh1 C14 C18 C17 60.01(18) . . . . ?
Rh1 C14 C18 C23 -123.7(3) . . . . ?
Rh1 C15 C16 C17 -62.03(18) . . . . ?
Rh1 C15 C16 C21 123.5(3) . . . . ?
Rh1 C16 C17 C18 -62.63(18) . . . . ?
Rh1 C16 C17 C22 121.8(3) . . . . ?
Rh1 C17 C18 C14 -60.68(18) . . . . ?
Rh1 C17 C18 C23 123.2(3) . . . . ?
N2 C9 C10 C11 0.1(4) . . . . ?
N1 C1 C2 C3 -2.8(4) . . . . ?
N1 C5 C6 C7 61.5(3) . . . . ?
N1 C5 C6 C8 177.9(2) . . . . ?
N1 C5 C6 C9 -58.4(3) . . . . ?
C1 N1 C5 C4 2.0(3) . . . . ?
C1 N1 C5 C6 -174.6(2) . . . . ?
C1 C2 C3 C4 2.1(4) . . . . ?
C2 C3 C4 C5 0.5(4) . . . . ?
C3 C4 C5 N1 -2.7(4) . . . . ?
C3 C4 C5 C6 173.9(2) . . . . ?
C4 C5 C6 C7 -115.1(3) . . . . ?
C4 C5 C6 C8 1.3(3) . . . . ?
C4 C5 C6 C9 125.1(2) . . . . ?
C5 N1 C1 C2 0.7(4) . . . . ?
C5 C6 C9 N2 55.3(3) . . . . ?
C5 C6 C9 C10 -125.7(2) . . . . ?
C6 C9 C10 C11 -178.9(2) . . . . ?
C7 C6 C9 N2 -63.7(3) . . . . ?
C7 C6 C9 C10 115.3(3) . . . . ?
C8 C6 C9 N2 179.1(2) . . . . ?
C8 C6 C9 C10 -1.9(3) . . . . ?
C9 N2 C13 C12 -0.2(4) . . . . ?
C9 C10 C11 C12 0.8(4) . . . . ?
C10 C11 C12 C13 -1.4(4) . . . . ?
C11 C12 C13 N2 1.1(4) . . . . ?
C13 N2 C9 C6 178.6(2) . . . . ?
C13 N2 C9 C10 -0.4(4) . . . . ?
C14 C15 C16 Rh1 61.19(18) . . . . ?
C14 C15 C16 C17 -0.8(3) . . . . ?
C14 C15 C16 C21 -175.3(3) . . . . ?
C15 C14 C18 Rh1 -61.25(17) . . . . ?
C15 C14 C18 C17 -1.2(3) . . . . ?
C15 C14 C18 C23 175.0(3) . . . . ?
C15 C16 C17 Rh1 62.69(18) . . . . ?
C15 C16 C17 C18 0.1(3) . . . . ?
C15 C16 C17 C22 -175.5(3) . . . . ?
C16 C17 C18 Rh1 61.41(18) . . . . ?
C16 C17 C18 C14 0.7(3) . . . . ?
C16 C17 C18 C23 -175.4(3) . . . . ?
C18 C14 C15 Rh1 61.49(17) . . . . ?
C18 C14 C15 C16 1.3(3) . . . . ?
C18 C14 C15 C20 -176.4(3) . . . . ?
C19 C14 C15 Rh1 -131.8(3) . . . . ?
C19 C14 C15 C16 168.0(2) . . . . ?
C19 C14 C15 C20 -9.7(4) . . . . ?
C19 C14 C18 Rh1 131.8(3) . . . . ?
C19 C14 C18 C17 -168.2(2) . . . . ?
C19 C14 C18 C23 8.1(4) . . . . ?
C20 C15 C16 Rh1 -121.2(3) . . . . ?
C20 C15 C16 C17 176.8(3) . . . . ?
C20 C15 C16 C21 2.3(5) . . . . ?
C21 C16 C17 Rh1 -122.7(3) . . . . ?
C21 C16 C17 C18 174.6(3) . . . . ?
C21 C16 C17 C22 -0.9(4) . . . . ?
C22 C17 C18 Rh1 -123.1(3) . . . . ?
C22 C17 C18 C14 176.2(3) . . . . ?
C22 C17 C18 C23 0.1(5) . . . . ?
Rh1B N1B C1B C2B 169.9(2) . . . . ?
Rh1B N1B C5B C4B -166.17(17) . . . . ?
Rh1B N1B C5B C6B 16.1(3) . . . . ?
Rh1B N2B C9B C6B -10.0(3) . . . . ?
Rh1B N2B C9B C10B 172.05(18) . . . . ?
Rh1B N2B C13B C12B -176.1(2) . . . . ?
Rh1B C14B C15B C16B -60.23(17) . . . . ?
Rh1B C14B C15B C20B 123.1(3) . . . . ?
Rh1B C14B C18B C17B 60.39(17) . . . . ?
Rh1B C14B C18B C23B -123.3(3) . . . . ?
Rh1B C15B C16B C17B -61.64(17) . . . . ?
Rh1B C15B C16B C21B 123.0(3) . . . . ?
Rh1B C16B C17B C18B -62.34(17) . . . . ?
Rh1B C16B C17B C22B 121.9(3) . . . . ?
Rh1B C17B C18B C14B -60.92(17) . . . . ?
Rh1B C17B C18B C23B 122.9(3) . . . . ?
N1B C1B C2B C3B -2.3(4) . . . . ?
N1B C5B C6B C7B 61.4(3) . . . . ?
N1B C5B C6B C8B 178.0(2) . . . . ?
N1B C5B C6B C9B -58.2(3) . . . . ?
N2B C9B C10B C11B 2.7(4) . . . . ?
C1B N1B C5B C4B 3.4(3) . . . . ?
C1B N1B C5B C6B -174.4(2) . . . . ?
C1B C2B C3B C4B 3.1(4) . . . . ?
C2B C3B C4B C5B -0.8(4) . . . . ?
C3B C4B C5B N1B -2.5(4) . . . . ?
C3B C4B C5B C6B 175.2(2) . . . . ?
C4B C5B C6B C7B -116.3(2) . . . . ?
C4B C5B C6B C8B 0.3(3) . . . . ?
C4B C5B C6B C9B 124.1(2) . . . . ?
C5B N1B C1B C2B -1.0(4) . . . . ?
C5B C6B C9B N2B 55.0(3) . . . . ?
C5B C6B C9B C10B -127.1(2) . . . . ?
C6B C9B C10B C11B -175.1(3) . . . . ?
C7B C6B C9B N2B -64.4(3) . . . . ?
C7B C6B C9B C10B 113.5(3) . . . . ?
C8B C6B C9B N2B 179.0(2) . . . . ?
C8B C6B C9B C10B -3.1(3) . . . . ?
C9B N2B C13B C12B -1.8(4) . . . . ?
C9B C10B C11B C12B -1.2(4) . . . . ?
C10B C11B C12B C13B -1.7(4) . . . . ?
C11B C12B C13B N2B 3.3(4) . . . . ?
C13B N2B C9B C6B 176.7(2) . . . . ?
C13B N2B C9B C10B -1.3(3) . . . . ?
C14B C15B C16B Rh1B 60.67(17) . . . . ?
C14B C15B C16B C17B -1.0(3) . . . . ?
C14B C15B C16B C21B -176.4(3) . . . . ?
C15B C14B C18B Rh1B -61.65(16) . . . . ?
C15B C14B C18B C17B -1.3(3) . . . . ?
C15B C14B C18B C23B 175.0(3) . . . . ?
C15B C16B C17B Rh1B 62.52(17) . . . . ?
C15B C16B C17B C18B 0.2(3) . . . . ?
C15B C16B C17B C22B -175.6(2) . . . . ?
C16B C17B C18B Rh1B 61.60(17) . . . . ?
C16B C17B C18B C14B 0.7(3) . . . . ?
C16B C17B C18B C23B -175.5(3) . . . . ?
C18B C14B C15B Rh1B 61.62(16) . . . . ?
C18B C14B C15B C16B 1.4(3) . . . . ?
C18B C14B C15B C20B -175.2(3) . . . . ?
C19B C14B C15B Rh1B -131.2(3) . . . . ?
C19B C14B C15B C16B 168.5(2) . . . . ?
C19B C14B C15B C20B -8.1(4) . . . . ?
C19B C14B C18B Rh1B 131.1(3) . . . . ?
C19B C14B C18B C17B -168.5(2) . . . . ?
C19B C14B C18B C23B 7.8(4) . . . . ?
C20B C15B C16B Rh1B -122.8(3) . . . . ?
C20B C15B C16B C17B 175.5(3) . . . . ?
C20B C15B C16B C21B 0.2(5) . . . . ?
C21B C16B C17B Rh1B -121.9(3) . . . . ?
C21B C16B C17B C18B 175.7(3) . . . . ?
C21B C16B C17B C22B 0.0(4) . . . . ?
C22B C17B C18B Rh1B -122.8(3) . . . . ?
C22B C17B C18B C14B 176.3(3) . . . . ?
C22B C17B C18B C23B 0.1(4) . . . . ?


_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_4
_database_code_depnum_ccdc_archive 'CCDC 1573828'
_audit_update_record             
;
2017-09-11 deposited with the CCDC.
2018-01-03 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT351_4                   
;
PROBLEM: Long    C-H (X0.96,N1.08A)  C7     -   H7A    ..       1.18 Ang.  
RESPONSE: The marginally significant elongation of this C--H bond is due 
to a weak interaction with the electron-rich Rh(II) center.
;
_vrf_PLAT390_4                   
;
PROBLEM: Deviating Methyl C7      X-C-H Bond Angle ......        121 Degree
RESPONSE: The marginally significant deformation of this methyl group is due 
to a weak interaction with the electron-rich Rh(II) center.
;
_vrf_PLAT391_4                   
;
PROBLEM: Deviating Methyl C7      H-C-H Bond Angle ......         92 Degree
RESPONSE: The marginally significant  deformation of this methyl group is due 
to a weak interaction with the electron-rich Rh(II) center.
;
_vrf_PLAT971_4                   
;
PROBLEM: Check Calcd Residual Density  0.93A From     Rh1       2.83 eA-3  
RESPONSE: The residual electron density is due to the weak high-angle data 
resulting from the very small crystal that had to be used for this study and
to the high electron density associated with the Rh metal center.
;
# end Validation Reply Form
_audit_creation_date             2017-09-08
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C23 H29 N2 Rh, F6 P, 0.33(C)'
_chemical_formula_sum            'C23.33 H29 F6 N2 P Rh'
_chemical_formula_weight         585.32
_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 0.0181 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'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh 0.0927 3.6045 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   10.6800(2)
_cell_length_b                   11.8136(3)
_cell_length_c                   11.8896(3)
_cell_angle_alpha                117.2535(17)
_cell_angle_beta                 108.4380(17)
_cell_angle_gamma                97.3701(17)
_cell_volume                     1196.94(5)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    4926
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      69.904
_cell_measurement_theta_min      4.450
_shelx_estimated_absorpt_T_max   0.903
_shelx_estimated_absorpt_T_min   0.642
_exptl_absorpt_coefficient_mu    6.956
_exptl_absorpt_correction_T_max  0.7533
_exptl_absorpt_correction_T_min  0.5494
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.1467 before and 0.0756 after correction.
The Ratio of minimum to maximum transmission is 0.7293.
The λ/2 correction factor is 0.00150.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.624
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       Plate
_exptl_crystal_F_000             594
_exptl_crystal_size_max          0.07
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.015
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0774
_diffrn_reflns_av_unetI/netI     0.0642
_diffrn_reflns_Laue_measured_fraction_full 0.964
_diffrn_reflns_Laue_measured_fraction_max 0.935
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            19004
_diffrn_reflns_point_group_measured_fraction_full 0.964
_diffrn_reflns_point_group_measured_fraction_max 0.935
_diffrn_reflns_theta_full        66.000
_diffrn_reflns_theta_max         70.292
_diffrn_reflns_theta_min         4.401
_diffrn_ambient_temperature      199.99
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.964
_diffrn_measured_fraction_theta_max 0.935
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker SMART APEX2 area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3638
_reflns_number_total             4268
_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       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_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    'XS (Sheldrick, 2008)'
_refine_diff_density_max         2.604
_refine_diff_density_min         -1.267
_refine_diff_density_rms         0.154
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     364
_refine_ls_number_reflns         4268
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0687
_refine_ls_R_factor_gt           0.0582
_refine_ls_restrained_S_all      1.065
_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)+(0.0898P)²+2.3136P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1448
_refine_ls_wR_factor_ref         0.1534
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.5 times of:
  All C(H,H,H) groups
2.a Idealised Me refined as rotating group:
 C19(H19A,H19B,H19C), C20(H20A,H20B,H20C), C21(H21A,H21B,H21C), C22(H22A,H22B,
 H22C), C23(H23A,H23B,H23C)
;
_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
Rh1 Rh 0.37033(4) 0.10056(4) 0.30528(4) 0.03279(18) Uani 1 1 d . . . . .
N1 N 0.5299(4) 0.2577(4) 0.4965(5) 0.0287(9) Uani 1 1 d . . . . .
N2 N 0.5279(5) 0.0235(4) 0.2640(5) 0.0297(9) Uani 1 1 d . . . . .
C1 C 0.5034(6) 0.3069(6) 0.6115(6) 0.0351(12) Uani 1 1 d . . . . .
H1 H 0.414(9) 0.263(9) 0.586(9) 0.05(2) Uiso 1 1 d . . . . .
C2 C 0.6019(7) 0.3984(6) 0.7446(6) 0.0363(12) Uani 1 1 d . . . . .
H2 H 0.581(8) 0.429(8) 0.826(9) 0.05(2) Uiso 1 1 d . . . . .
C3 C 0.7365(6) 0.4420(6) 0.7637(6) 0.0355(12) Uani 1 1 d . . . . .
H3 H 0.806(8) 0.496(8) 0.852(9) 0.041(18) Uiso 1 1 d . . . . .
C4 C 0.7670(6) 0.3960(5) 0.6481(6) 0.0304(11) Uani 1 1 d . . . . .
H4 H 0.862(6) 0.423(5) 0.655(5) 0.010(11) Uiso 1 1 d . . . . .
C5 C 0.6609(5) 0.3054(5) 0.5148(6) 0.0274(10) Uani 1 1 d . . . . .
C6 C 0.6889(5) 0.2550(5) 0.3837(5) 0.0276(10) Uani 1 1 d . . . . .
C7 C 0.5934(6) 0.2879(6) 0.2829(6) 0.0324(11) Uani 1 1 d . . . . .
H7A H 0.471(7) 0.244(7) 0.236(7) 0.032(15) Uiso 1 1 d . . . . .
H7B H 0.626(10) 0.282(10) 0.216(10) 0.07(3) Uiso 1 1 d . . . . .
H7C H 0.614(6) 0.372(7) 0.322(7) 0.025(15) Uiso 1 1 d . . . . .
C8 C 0.8394(6) 0.3270(6) 0.4212(7) 0.0351(12) Uani 1 1 d . . . . .
H8A H 0.850(9) 0.296(9) 0.334(10) 0.06(2) Uiso 1 1 d . . . . .
H8B H 0.857(6) 0.429(6) 0.472(6) 0.019(13) Uiso 1 1 d . . . . .
H8C H 0.904(6) 0.320(6) 0.477(6) 0.016(13) Uiso 1 1 d . . . . .
C9 C 0.6590(5) 0.1021(5) 0.3110(5) 0.0266(10) Uani 1 1 d . . . . .
C10 C 0.7614(6) 0.0432(6) 0.2913(6) 0.0320(11) Uani 1 1 d . . . . .
H10 H 0.857(8) 0.101(8) 0.336(8) 0.042(18) Uiso 1 1 d . . . . .
C11 C 0.7294(6) -0.0949(6) 0.2212(6) 0.0360(12) Uani 1 1 d . . . . .
H11 H 0.803(7) -0.123(7) 0.218(7) 0.034(16) Uiso 1 1 d . . . . .
C12 C 0.5945(7) -0.1742(6) 0.1698(7) 0.0397(13) Uani 1 1 d . . . . .
H12 H 0.570(7) -0.273(7) 0.123(7) 0.033(16) Uiso 1 1 d . . . . .
C13 C 0.4984(6) -0.1115(6) 0.1930(6) 0.0363(12) Uani 1 1 d . . . . .
H13 H 0.395(8) -0.165(8) 0.161(8) 0.047(19) Uiso 1 1 d . . . . .
C14 C 0.1692(5) 0.0533(5) 0.3173(6) 0.0292(10) Uani 1 1 d . . . . .
C15 C 0.1874(5) 0.1641(6) 0.2951(6) 0.0310(11) Uani 1 1 d . . . . .
C16 C 0.1905(6) 0.1151(6) 0.1629(6) 0.0348(11) Uani 1 1 d . . . . .
C17 C 0.1874(5) -0.0215(5) 0.1077(6) 0.0309(11) Uani 1 1 d . . . . .
C18 C 0.1680(5) -0.0604(5) 0.2009(6) 0.0279(10) Uani 1 1 d . . . . .
C19 C 0.1490(7) 0.0549(7) 0.4368(7) 0.0414(13) Uani 1 1 d . . . . .
H19A H 0.0522 0.0033 0.4044 0.062 Uiso 1 1 calc GR . . . .
H19B H 0.1695 0.1480 0.5107 0.062 Uiso 1 1 calc GR . . . .
H19C H 0.2120 0.0145 0.4737 0.062 Uiso 1 1 calc GR . . . .
C20 C 0.1902(7) 0.3041(6) 0.3902(7) 0.0414(13) Uani 1 1 d . . . . .
H20A H 0.1030 0.3172 0.3471 0.062 Uiso 1 1 calc GR . . . .
H20B H 0.2692 0.3701 0.4051 0.062 Uiso 1 1 calc GR . . . .
H20C H 0.2002 0.3162 0.4801 0.062 Uiso 1 1 calc GR . . . .
C21 C 0.1967(8) 0.1928(7) 0.0927(8) 0.0501(16) Uani 1 1 d . . . . .
H21A H 0.1219 0.1417 -0.0023 0.075 Uiso 1 1 calc GR . . . .
H21B H 0.2872 0.2075 0.0887 0.075 Uiso 1 1 calc GR . . . .
H21C H 0.1851 0.2798 0.1462 0.075 Uiso 1 1 calc GR . . . .
C22 C 0.1856(7) -0.1117(7) -0.0314(6) 0.0431(13) Uani 1 1 d . . . . .
H22A H 0.0944 -0.1364 -0.1056 0.065 Uiso 1 1 calc GR . . . .
H22B H 0.2028 -0.1932 -0.0370 0.065 Uiso 1 1 calc GR . . . .
H22C H 0.2585 -0.0646 -0.0430 0.065 Uiso 1 1 calc GR . . . .
C23 C 0.1441(7) -0.1984(6) 0.1785(7) 0.0403(13) Uani 1 1 d . . . . .
H23A H 0.0479 -0.2352 0.1616 0.060 Uiso 1 1 calc GR . . . .
H23B H 0.2087 -0.1931 0.2618 0.060 Uiso 1 1 calc GR . . . .
H23C H 0.1602 -0.2571 0.0976 0.060 Uiso 1 1 calc GR . . . .
P1 P 0.19084(14) 0.44980(14) 0.82298(14) 0.0320(3) Uani 1 1 d . . . . .
F1 F 0.2456(5) 0.3903(4) 0.9187(4) 0.0560(10) Uani 1 1 d . . . . .
F2 F 0.0804(4) 0.4864(4) 0.8864(5) 0.0526(9) Uani 1 1 d . . . . .
F3 F 0.0797(4) 0.3050(4) 0.7027(4) 0.0522(9) Uani 1 1 d . . . . .
F4 F 0.1340(5) 0.5070(5) 0.7268(5) 0.0635(12) Uani 1 1 d . . . . .
F5 F 0.3003(5) 0.4111(5) 0.7593(5) 0.0678(12) Uani 1 1 d . . . . .
F6 F 0.3012(4) 0.5942(4) 0.9435(5) 0.0601(11) Uani 1 1 d . . . . .
C1S C 0.4463(14) -0.0069(13) 0.4678(14) 0.020(5) Uiso 0.33(2) 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 N1 2.096(4) . ?
Rh1 N2 2.100(4) . ?
Rh1 C7 3.199(6) . ?
Rh1 H7A 2.46(6) . ?
Rh1 C14 2.214(5) . ?
Rh1 C15 2.169(5) . ?
Rh1 C16 2.209(6) . ?
Rh1 C17 2.165(5) . ?
Rh1 C18 2.217(5) . ?
N1 C1 1.359(7) . ?
N1 C5 1.346(7) . ?
N2 C9 1.353(7) . ?
N2 C13 1.351(7) . ?
C1 H1 0.90(9) . ?
C1 C2 1.367(9) . ?
C2 H2 0.97(9) . ?
C2 C3 1.372(9) . ?
C3 H3 0.91(8) . ?
C3 C4 1.391(9) . ?
C4 H4 0.98(5) . ?
C4 C5 1.394(8) . ?
C5 C6 1.539(7) . ?
C6 C7 1.543(7) . ?
C6 C8 1.534(8) . ?
C6 C9 1.536(7) . ?
C7 H7A 1.18(7) . ?
C7 H7B 0.94(10) . ?
C7 H7C 0.84(7) . ?
C8 H8A 0.98(9) . ?
C8 H8B 1.03(6) . ?
C8 H8C 0.84(6) . ?
C9 C10 1.395(7) . ?
C10 H10 0.97(8) . ?
C10 C11 1.380(8) . ?
C11 H11 0.89(7) . ?
C11 C12 1.378(9) . ?
C12 H12 0.99(7) . ?
C12 C13 1.365(9) . ?
C13 H13 1.05(8) . ?
C14 C15 1.450(8) . ?
C14 C18 1.414(8) . ?
C14 C19 1.497(8) . ?
C15 C16 1.418(8) . ?
C15 C20 1.507(8) . ?
C16 C17 1.428(8) . ?
C16 C21 1.505(8) . ?
C17 C18 1.439(8) . ?
C17 C22 1.494(8) . ?
C18 C23 1.499(7) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
P1 F1 1.596(4) . ?
P1 F2 1.594(4) . ?
P1 F3 1.596(4) . ?
P1 F4 1.583(4) . ?
P1 F5 1.590(4) . ?
P1 F6 1.590(4) . ?
C1S C1S 1.10(3) 2_656 ?

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
N1 Rh1 N2 86.34(17) . . ?
N1 Rh1 C7 64.69(16) . . ?
N1 Rh1 H7A 77.9(16) . . ?
N1 Rh1 C14 112.99(19) . . ?
N1 Rh1 C15 104.26(19) . . ?
N1 Rh1 C16 127.69(19) . . ?
N1 Rh1 C17 165.79(19) . . ?
N1 Rh1 C18 145.90(18) . . ?
N2 Rh1 C7 65.13(16) . . ?
N2 Rh1 H7A 77.9(15) . . ?
N2 Rh1 C14 144.44(18) . . ?
N2 Rh1 C15 166.20(19) . . ?
N2 Rh1 C16 128.4(2) . . ?
N2 Rh1 C17 103.92(19) . . ?
N2 Rh1 C18 112.20(18) . . ?
H7A Rh1 C7 18.9(15) . . ?
C14 Rh1 C7 149.61(17) . . ?
C14 Rh1 H7A 133.6(15) . . ?
C14 Rh1 C18 37.2(2) . . ?
C15 Rh1 C7 111.09(18) . . ?
C15 Rh1 H7A 95.4(15) . . ?
C15 Rh1 C14 38.6(2) . . ?
C15 Rh1 C16 37.8(2) . . ?
C15 Rh1 C18 63.5(2) . . ?
C16 Rh1 C7 93.26(18) . . ?
C16 Rh1 H7A 74.4(15) . . ?
C16 Rh1 C14 63.4(2) . . ?
C16 Rh1 C18 63.1(2) . . ?
C17 Rh1 C7 110.40(18) . . ?
C17 Rh1 H7A 94.4(15) . . ?
C17 Rh1 C14 63.8(2) . . ?
C17 Rh1 C15 64.2(2) . . ?
C17 Rh1 C16 38.1(2) . . ?
C17 Rh1 C18 38.3(2) . . ?
C18 Rh1 C7 148.61(18) . . ?
C18 Rh1 H7A 132.4(15) . . ?
C1 N1 Rh1 118.2(4) . . ?
C5 N1 Rh1 123.9(4) . . ?
C5 N1 C1 117.7(5) . . ?
C9 N2 Rh1 123.3(3) . . ?
C13 N2 Rh1 118.0(4) . . ?
C13 N2 C9 118.6(5) . . ?
N1 C1 H1 109(5) . . ?
N1 C1 C2 124.2(6) . . ?
C2 C1 H1 127(5) . . ?
C1 C2 H2 122(5) . . ?
C1 C2 C3 117.9(5) . . ?
C3 C2 H2 119(5) . . ?
C2 C3 H3 119(5) . . ?
C2 C3 C4 119.5(5) . . ?
C4 C3 H3 121(5) . . ?
C3 C4 H4 123(3) . . ?
C3 C4 C5 119.6(5) . . ?
C5 C4 H4 117(3) . . ?
N1 C5 C4 121.0(5) . . ?
N1 C5 C6 117.6(5) . . ?
C4 C5 C6 121.4(5) . . ?
C5 C6 C7 109.7(4) . . ?
C8 C6 C5 111.1(4) . . ?
C8 C6 C7 106.5(4) . . ?
C8 C6 C9 110.8(4) . . ?
C9 C6 C5 109.0(4) . . ?
C9 C6 C7 109.7(4) . . ?
Rh1 C7 H7A 43(3) . . ?
Rh1 C7 H7B 138(6) . . ?
Rh1 C7 H7C 125(4) . . ?
C6 C7 Rh1 78.3(3) . . ?
C6 C7 H7A 121(3) . . ?
C6 C7 H7B 111(6) . . ?
C6 C7 H7C 109(4) . . ?
H7A C7 H7B 113(7) . . ?
H7A C7 H7C 107(5) . . ?
H7B C7 H7C 92(7) . . ?
C6 C8 H8A 108(5) . . ?
C6 C8 H8B 109(3) . . ?
C6 C8 H8C 118(4) . . ?
H8A C8 H8B 110(6) . . ?
H8A C8 H8C 109(6) . . ?
H8B C8 H8C 103(5) . . ?
N2 C9 C6 118.1(4) . . ?
N2 C9 C10 119.7(5) . . ?
C10 C9 C6 122.2(5) . . ?
C9 C10 H10 118(4) . . ?
C11 C10 C9 120.6(5) . . ?
C11 C10 H10 121(4) . . ?
C10 C11 H11 114(4) . . ?
C12 C11 C10 119.2(5) . . ?
C12 C11 H11 127(4) . . ?
C11 C12 H12 120(4) . . ?
C13 C12 C11 118.0(5) . . ?
C13 C12 H12 121(4) . . ?
N2 C13 C12 123.9(5) . . ?
N2 C13 H13 114(4) . . ?
C12 C13 H13 122(4) . . ?
C15 C14 Rh1 69.0(3) . . ?
C15 C14 C19 127.2(5) . . ?
C18 C14 Rh1 71.5(3) . . ?
C18 C14 C15 107.3(5) . . ?
C18 C14 C19 125.5(5) . . ?
C19 C14 Rh1 126.8(4) . . ?
C14 C15 Rh1 72.4(3) . . ?
C14 C15 C20 125.9(5) . . ?
C16 C15 Rh1 72.6(3) . . ?
C16 C15 C14 108.2(5) . . ?
C16 C15 C20 125.6(5) . . ?
C20 C15 Rh1 124.7(4) . . ?
C15 C16 Rh1 69.6(3) . . ?
C15 C16 C17 108.0(5) . . ?
C15 C16 C21 126.3(5) . . ?
C17 C16 Rh1 69.3(3) . . ?
C17 C16 C21 125.7(6) . . ?
C21 C16 Rh1 126.4(5) . . ?
C16 C17 Rh1 72.6(3) . . ?
C16 C17 C18 107.7(5) . . ?
C16 C17 C22 125.3(5) . . ?
C18 C17 Rh1 72.8(3) . . ?
C18 C17 C22 126.5(5) . . ?
C22 C17 Rh1 126.3(4) . . ?
C14 C18 Rh1 71.3(3) . . ?
C14 C18 C17 108.5(5) . . ?
C14 C18 C23 124.7(5) . . ?
C17 C18 Rh1 68.9(3) . . ?
C17 C18 C23 126.8(5) . . ?
C23 C18 Rh1 127.6(4) . . ?
C14 C19 H19A 109.5 . . ?
C14 C19 H19B 109.5 . . ?
C14 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C15 C20 H20A 109.5 . . ?
C15 C20 H20B 109.5 . . ?
C15 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C16 C21 H21A 109.5 . . ?
C16 C21 H21B 109.5 . . ?
C16 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C17 C22 H22A 109.5 . . ?
C17 C22 H22B 109.5 . . ?
C17 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C18 C23 H23A 109.5 . . ?
C18 C23 H23B 109.5 . . ?
C18 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
F2 P1 F1 89.4(2) . . ?
F2 P1 F3 89.7(2) . . ?
F3 P1 F1 89.4(2) . . ?
F4 P1 F1 179.0(3) . . ?
F4 P1 F2 90.2(3) . . ?
F4 P1 F3 89.7(2) . . ?
F4 P1 F5 90.4(3) . . ?
F4 P1 F6 90.5(3) . . ?
F5 P1 F1 90.1(3) . . ?
F5 P1 F2 179.2(3) . . ?
F5 P1 F3 89.6(3) . . ?
F5 P1 F6 90.7(3) . . ?
F6 P1 F1 90.4(3) . . ?
F6 P1 F2 89.9(2) . . ?
F6 P1 F3 179.6(3) . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C2 H2 F1 0.97(9) 2.59(9) 3.254(7) 125(6) 2_667
C12 H12 F1 0.99(7) 2.59(7) 3.216(7) 121(5) 2_656
C13 H13 F6 1.05(8) 2.58(8) 3.170(7) 115(5) 1_544

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Rh1 N1 C1 C2 172.5(5) . . . . ?
Rh1 N1 C5 C4 -170.5(4) . . . . ?
Rh1 N1 C5 C6 8.9(6) . . . . ?
Rh1 N2 C9 C6 -7.2(6) . . . . ?
Rh1 N2 C9 C10 173.4(4) . . . . ?
Rh1 N2 C13 C12 -174.2(5) . . . . ?
Rh1 C14 C15 C16 64.2(4) . . . . ?
Rh1 C14 C15 C20 -120.5(5) . . . . ?
Rh1 C14 C18 C17 -59.0(4) . . . . ?
Rh1 C14 C18 C23 123.3(5) . . . . ?
Rh1 C15 C16 C17 58.8(4) . . . . ?
Rh1 C15 C16 C21 -120.8(6) . . . . ?
Rh1 C16 C17 C18 64.8(4) . . . . ?
Rh1 C16 C17 C22 -122.6(6) . . . . ?
Rh1 C17 C18 C14 60.5(4) . . . . ?
Rh1 C17 C18 C23 -121.9(5) . . . . ?
N1 C1 C2 C3 -1.0(9) . . . . ?
N1 C5 C6 C7 58.0(6) . . . . ?
N1 C5 C6 C8 175.5(4) . . . . ?
N1 C5 C6 C9 -62.1(6) . . . . ?
N2 C9 C10 C11 1.6(8) . . . . ?
C1 N1 C5 C4 3.7(7) . . . . ?
C1 N1 C5 C6 -176.9(5) . . . . ?
C1 C2 C3 C4 2.2(8) . . . . ?
C2 C3 C4 C5 -0.6(8) . . . . ?
C3 C4 C5 N1 -2.5(8) . . . . ?
C3 C4 C5 C6 178.1(5) . . . . ?
C4 C5 C6 C7 -122.6(5) . . . . ?
C4 C5 C6 C8 -5.1(7) . . . . ?
C4 C5 C6 C9 117.3(5) . . . . ?
C5 N1 C1 C2 -2.0(9) . . . . ?
C5 C6 C7 Rh1 -59.8(3) . . . . ?
C5 C6 C9 N2 61.1(6) . . . . ?
C5 C6 C9 C10 -119.5(5) . . . . ?
C6 C9 C10 C11 -177.7(5) . . . . ?
C7 C6 C9 N2 -59.0(6) . . . . ?
C7 C6 C9 C10 120.4(5) . . . . ?
C8 C6 C7 Rh1 179.9(4) . . . . ?
C8 C6 C9 N2 -176.3(5) . . . . ?
C8 C6 C9 C10 3.1(7) . . . . ?
C9 N2 C13 C12 2.5(9) . . . . ?
C9 C6 C7 Rh1 59.9(3) . . . . ?
C9 C10 C11 C12 0.5(9) . . . . ?
C10 C11 C12 C13 -1.1(9) . . . . ?
C11 C12 C13 N2 -0.4(10) . . . . ?
C13 N2 C9 C6 176.3(5) . . . . ?
C13 N2 C9 C10 -3.0(7) . . . . ?
C14 C15 C16 Rh1 -64.1(4) . . . . ?
C14 C15 C16 C17 -5.2(6) . . . . ?
C14 C15 C16 C21 175.1(6) . . . . ?
C15 C14 C18 Rh1 60.0(3) . . . . ?
C15 C14 C18 C17 0.9(6) . . . . ?
C15 C14 C18 C23 -176.7(5) . . . . ?
C15 C16 C17 Rh1 -59.0(4) . . . . ?
C15 C16 C17 C18 5.8(6) . . . . ?
C15 C16 C17 C22 178.4(5) . . . . ?
C16 C17 C18 Rh1 -64.7(4) . . . . ?
C16 C17 C18 C14 -4.2(6) . . . . ?
C16 C17 C18 C23 173.4(5) . . . . ?
C18 C14 C15 Rh1 -61.6(3) . . . . ?
C18 C14 C15 C16 2.7(6) . . . . ?
C18 C14 C15 C20 177.9(5) . . . . ?
C19 C14 C15 Rh1 120.9(6) . . . . ?
C19 C14 C15 C16 -174.8(5) . . . . ?
C19 C14 C15 C20 0.4(9) . . . . ?
C19 C14 C18 Rh1 -122.4(5) . . . . ?
C19 C14 C18 C17 178.5(5) . . . . ?
C19 C14 C18 C23 0.8(8) . . . . ?
C20 C15 C16 Rh1 120.7(5) . . . . ?
C20 C15 C16 C17 179.5(5) . . . . ?
C20 C15 C16 C21 -0.2(10) . . . . ?
C21 C16 C17 Rh1 120.7(6) . . . . ?
C21 C16 C17 C18 -174.5(6) . . . . ?
C21 C16 C17 C22 -1.9(10) . . . . ?
C22 C17 C18 Rh1 122.8(6) . . . . ?
C22 C17 C18 C14 -176.6(5) . . . . ?
C22 C17 C18 C23 1.0(9) . . . . ?


_olex2_submission_special_instructions 'No special instructions were received'

_chemical_properties_physical    Air-sensitive
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_5
_database_code_depnum_ccdc_archive 'CCDC 1573829'
_audit_update_record             
;
2017-09-11 deposited with the CCDC.
2018-01-03 downloaded from the CCDC.
;
_audit_creation_date             2017-04-27
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5335)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C23 H29 N2 Rh'
_chemical_formula_sum            'C23 H29 N2 Rh'
_chemical_formula_weight         436.39
_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 0.0181 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'
N N 0.0311 0.0180 '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                   10.8564(2)
_cell_length_b                   11.6907(3)
_cell_length_c                   16.6402(4)
_cell_angle_alpha                90
_cell_angle_beta                 103.5781(10)
_cell_angle_gamma                90
_cell_volume                     2052.93(8)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9868
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      70.053
_cell_measurement_theta_min      4.189
_shelx_estimated_absorpt_T_max   0.667
_shelx_estimated_absorpt_T_min   0.462
_exptl_absorpt_coefficient_mu    6.767
_exptl_absorpt_correction_T_max  0.7533
_exptl_absorpt_correction_T_min  0.3395
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2014/5 (Bruker,2014/5) was used for absorption correction. wR2(int) was 0.1614 before and 0.0598 after correction. The Ratio of minimum to maximum transmission is 0.4507. The λ/2 correction factor is 0.00150.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.412
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             904
_exptl_crystal_size_max          0.135
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.065
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0474
_diffrn_reflns_av_unetI/netI     0.0351
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.976
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            20357
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.976
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         70.044
_diffrn_reflns_theta_min         4.189
_diffrn_ambient_temperature      199.99
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker SMART APEX2 area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3565
_reflns_number_total             3812
_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       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       'APEXII (Bruker, 2006)'
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         1.946
_refine_diff_density_min         -1.229
_refine_diff_density_rms         0.123
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     329
_refine_ls_number_reflns         3812
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0373
_refine_ls_R_factor_gt           0.0353
_refine_ls_restrained_S_all      1.046
_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)+(0.0744P)²+0.5811P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0962
_refine_ls_wR_factor_ref         0.0983
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.5 times of:
  All C(H,H,H) groups
2.a Idealised Me refined as rotating group:
 C19(H19A,H19B,H19C), C21(H21A,H21B,H21C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.31973(2) 0.11853(2) 0.17284(2) 0.01860(11) Uani 1 1 d . . . . .
N1 N 0.2259(2) 0.26995(18) 0.13546(12) 0.0259(5) Uani 1 1 d . . . . .
N2 N 0.1743(2) 0.0288(2) 0.29384(14) 0.0286(5) Uani 1 1 d . . . . .
C1 C 0.2607(3) 0.3449(3) 0.08256(18) 0.0355(7) Uani 1 1 d . . . . .
H1 H 0.331(4) 0.326(3) 0.065(2) 0.031(8) Uiso 1 1 d . . . . .
C2 C 0.1992(4) 0.4479(3) 0.0613(2) 0.0445(8) Uani 1 1 d . . . . .
H2 H 0.228(5) 0.492(4) 0.015(3) 0.067(13) Uiso 1 1 d . . . . .
C3 C 0.1019(4) 0.4776(3) 0.0974(2) 0.0450(8) Uani 1 1 d . . . . .
H3 H 0.068(4) 0.556(4) 0.090(2) 0.052(11) Uiso 1 1 d . . . . .
C4 C 0.0666(3) 0.4020(3) 0.1521(2) 0.0382(7) Uani 1 1 d . . . . .
H4 H 0.003(4) 0.422(4) 0.178(2) 0.042(9) Uiso 1 1 d . . . . .
C5 C 0.1289(3) 0.2974(2) 0.16934(15) 0.0274(6) Uani 1 1 d . . . . .
C6 C 0.0886(3) 0.2045(2) 0.22159(16) 0.0282(6) Uani 1 1 d . . . . .
C7 C -0.0136(4) 0.1322(3) 0.1638(2) 0.0425(8) Uani 1 1 d . . . . .
H7A H -0.044(5) 0.070(4) 0.193(3) 0.059(12) Uiso 1 1 d . . . . .
H7B H -0.084(4) 0.179(4) 0.140(2) 0.049(11) Uiso 1 1 d . . . . .
H7C H 0.015(5) 0.094(4) 0.119(3) 0.062(13) Uiso 1 1 d . . . . .
C8 C 0.0348(4) 0.2550(3) 0.2909(2) 0.0414(7) Uani 1 1 d . . . . .
H8A H 0.101(4) 0.305(3) 0.325(2) 0.041(9) Uiso 1 1 d . . . . .
H8B H -0.046(5) 0.299(4) 0.272(3) 0.061(12) Uiso 1 1 d . . . . .
H8C H 0.015(4) 0.198(4) 0.324(3) 0.046(11) Uiso 1 1 d . . . . .
C9 C 0.2053(3) 0.1307(2) 0.25855(17) 0.0233(6) Uani 1 1 d . . . . .
C10 C 0.3271(3) 0.1867(2) 0.29345(15) 0.0230(5) Uani 1 1 d . . . . .
H10 H 0.330(3) 0.269(3) 0.290(2) 0.031(8) Uiso 1 1 d . . . . .
C11 C 0.4118(3) 0.1293(3) 0.35993(19) 0.0308(7) Uani 1 1 d . . . . .
H11 H 0.492(4) 0.164(3) 0.387(2) 0.035(9) Uiso 1 1 d . . . . .
C12 C 0.3807(3) 0.0274(3) 0.38795(17) 0.0358(7) Uani 1 1 d . . . . .
H12 H 0.436(4) -0.013(4) 0.431(3) 0.054(11) Uiso 1 1 d . . . . .
C13 C 0.2583(3) -0.0188(3) 0.35264(17) 0.0333(6) Uani 1 1 d . . . . .
H13 H 0.232(4) -0.096(3) 0.371(2) 0.033(9) Uiso 1 1 d . . . . .
C14 C 0.3030(3) -0.0436(2) 0.09846(17) 0.0292(6) Uani 1 1 d . . . . .
C15 C 0.3377(3) 0.0481(2) 0.05229(15) 0.0291(6) Uani 1 1 d . . . . .
C16 C 0.4634(3) 0.0886(2) 0.09417(16) 0.0259(6) Uani 1 1 d . . . . .
C17 C 0.5024(3) 0.0253(2) 0.16819(16) 0.0251(5) Uani 1 1 d . . . . .
C18 C 0.4004(3) -0.0534(2) 0.17270(16) 0.0270(5) Uani 1 1 d . . . . .
C19 C 0.1877(5) -0.1185(3) 0.0746(3) 0.0482(10) Uani 1 1 d . . . . .
H19A H 0.1577 -0.1378 0.1241 0.072 Uiso 1 1 calc GR . . . .
H19B H 0.2094 -0.1888 0.0490 0.072 Uiso 1 1 calc GR . . . .
H19C H 0.1209 -0.0777 0.0352 0.072 Uiso 1 1 calc GR . . . .
C20 C 0.2651(4) 0.0887(4) -0.03050(19) 0.0441(8) Uani 1 1 d . . . . .
H20A H 0.286(5) 0.055(5) -0.073(3) 0.075(15) Uiso 1 1 d . . . . .
H20B H 0.269(5) 0.168(5) -0.042(3) 0.063(13) Uiso 1 1 d . . . . .
H20C H 0.174(7) 0.073(6) -0.038(4) 0.093(18) Uiso 1 1 d . . . . .
C21 C 0.5408(3) 0.1737(2) 0.0602(2) 0.0378(7) Uani 1 1 d . . . . .
H21A H 0.4852 0.2332 0.0298 0.057 Uiso 1 1 calc GR . . . .
H21B H 0.5847 0.1350 0.0228 0.057 Uiso 1 1 calc GR . . . .
H21C H 0.6032 0.2087 0.1058 0.057 Uiso 1 1 calc GR . . . .
C22 C 0.6263(3) 0.0348(3) 0.2297(2) 0.0353(7) Uani 1 1 d . . . . .
H22A H 0.676(5) -0.023(4) 0.221(3) 0.066(14) Uiso 1 1 d . . . . .
H22B H 0.676(5) 0.105(4) 0.221(3) 0.045(12) Uiso 1 1 d . . . . .
H22C H 0.612(5) 0.024(5) 0.286(3) 0.083(16) Uiso 1 1 d . . . . .
C23 C 0.4080(4) -0.1462(3) 0.2358(2) 0.0396(8) Uani 1 1 d . . . . .
H23A H 0.443(4) -0.216(4) 0.214(3) 0.061(12) Uiso 1 1 d . . . . .
H23B H 0.469(6) -0.126(3) 0.281(3) 0.052(14) Uiso 1 1 d . . . . .
H23C H 0.324(4) -0.161(4) 0.247(2) 0.050(11) Uiso 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Rh1 N1 2.064(2) . ?
Rh1 C9 2.105(3) . ?
Rh1 C10 2.144(2) . ?
Rh1 C14 2.248(3) . ?
Rh1 C15 2.219(2) . ?
Rh1 C16 2.286(3) . ?
Rh1 C17 2.280(3) . ?
Rh1 C18 2.193(3) . ?
N1 C1 1.357(4) . ?
N1 C5 1.345(4) . ?
N2 C9 1.404(4) . ?
N2 C13 1.296(4) . ?
C1 H1 0.90(4) . ?
C1 C2 1.381(5) . ?
C2 H2 1.03(5) . ?
C2 C3 1.377(5) . ?
C3 H3 0.99(5) . ?
C3 C4 1.386(6) . ?
C4 H4 0.93(4) . ?
C4 C5 1.395(4) . ?
C5 C6 1.518(4) . ?
C6 C7 1.540(4) . ?
C6 C8 1.528(4) . ?
C6 C9 1.537(4) . ?
C7 H7A 0.97(5) . ?
C7 H7B 0.95(5) . ?
C7 H7C 0.98(5) . ?
C8 H8A 1.00(4) . ?
C8 H8B 1.00(5) . ?
C8 H8C 0.93(5) . ?
C9 C10 1.467(4) . ?
C10 H10 0.97(4) . ?
C10 C11 1.429(4) . ?
C11 H11 0.98(4) . ?
C11 C12 1.350(5) . ?
C12 H12 0.94(4) . ?
C12 C13 1.427(5) . ?
C13 H13 1.01(4) . ?
C14 C15 1.420(4) . ?
C14 C18 1.430(4) . ?
C14 C19 1.503(5) . ?
C15 C16 1.457(4) . ?
C15 C20 1.495(4) . ?
C16 C17 1.414(4) . ?
C16 C21 1.497(4) . ?
C17 C18 1.454(4) . ?
C17 C22 1.492(4) . ?
C18 C23 1.498(4) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.88(6) . ?
C20 H20B 0.95(5) . ?
C20 H20C 0.98(7) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.89(5) . ?
C22 H22B 1.01(5) . ?
C22 H22C 1.00(6) . ?
C23 H23A 1.01(5) . ?
C23 H23B 0.91(6) . ?
C23 H23C 0.99(5) . ?

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
N1 Rh1 C9 79.52(10) . . ?
N1 Rh1 C10 82.55(9) . . ?
N1 Rh1 C14 125.95(9) . . ?
N1 Rh1 C15 100.82(9) . . ?
N1 Rh1 C16 108.26(10) . . ?
N1 Rh1 C17 140.47(9) . . ?
N1 Rh1 C18 162.71(9) . . ?
C9 Rh1 C10 40.40(11) . . ?
C9 Rh1 C14 116.51(10) . . ?
C9 Rh1 C15 146.01(11) . . ?
C9 Rh1 C16 171.45(10) . . ?
C9 Rh1 C17 135.38(10) . . ?
C9 Rh1 C18 111.25(10) . . ?
C10 Rh1 C14 144.07(10) . . ?
C10 Rh1 C15 173.01(11) . . ?
C10 Rh1 C16 135.45(10) . . ?
C10 Rh1 C17 111.60(10) . . ?
C10 Rh1 C18 114.51(10) . . ?
C14 Rh1 C16 62.17(11) . . ?
C14 Rh1 C17 62.38(10) . . ?
C15 Rh1 C14 37.08(11) . . ?
C15 Rh1 C16 37.70(11) . . ?
C15 Rh1 C17 61.97(10) . . ?
C17 Rh1 C16 36.08(10) . . ?
C18 Rh1 C14 37.54(11) . . ?
C18 Rh1 C15 62.54(10) . . ?
C18 Rh1 C16 62.13(10) . . ?
C18 Rh1 C17 37.88(10) . . ?
C1 N1 Rh1 123.9(2) . . ?
C5 N1 Rh1 117.24(18) . . ?
C5 N1 C1 118.8(2) . . ?
C13 N2 C9 119.0(3) . . ?
N1 C1 H1 116(2) . . ?
N1 C1 C2 122.5(3) . . ?
C2 C1 H1 122(2) . . ?
C1 C2 H2 115(3) . . ?
C3 C2 C1 118.8(3) . . ?
C3 C2 H2 126(3) . . ?
C2 C3 H3 119(3) . . ?
C2 C3 C4 119.0(3) . . ?
C4 C3 H3 122(2) . . ?
C3 C4 H4 120(3) . . ?
C3 C4 C5 119.8(3) . . ?
C5 C4 H4 121(3) . . ?
N1 C5 C4 120.9(3) . . ?
N1 C5 C6 115.4(2) . . ?
C4 C5 C6 123.6(3) . . ?
C5 C6 C7 107.3(2) . . ?
C5 C6 C8 111.6(2) . . ?
C5 C6 C9 108.0(2) . . ?
C8 C6 C7 109.7(3) . . ?
C8 C6 C9 109.9(2) . . ?
C9 C6 C7 110.3(2) . . ?
C6 C7 H7A 112(3) . . ?
C6 C7 H7B 109(3) . . ?
C6 C7 H7C 115(3) . . ?
H7A C7 H7B 108(4) . . ?
H7A C7 H7C 104(4) . . ?
H7B C7 H7C 109(4) . . ?
C6 C8 H8A 108(2) . . ?
C6 C8 H8B 115(3) . . ?
C6 C8 H8C 111(3) . . ?
H8A C8 H8B 110(3) . . ?
H8A C8 H8C 109(3) . . ?
H8B C8 H8C 104(4) . . ?
N2 C9 Rh1 117.61(18) . . ?
N2 C9 C6 112.8(3) . . ?
N2 C9 C10 119.7(2) . . ?
C6 C9 Rh1 109.21(18) . . ?
C10 C9 Rh1 71.23(16) . . ?
C10 C9 C6 119.3(2) . . ?
Rh1 C10 H10 107.7(19) . . ?
C9 C10 Rh1 68.37(14) . . ?
C9 C10 H10 117(2) . . ?
C11 C10 Rh1 115.20(19) . . ?
C11 C10 C9 116.9(3) . . ?
C11 C10 H10 120(2) . . ?
C10 C11 H11 120(2) . . ?
C12 C11 C10 121.0(3) . . ?
C12 C11 H11 119(2) . . ?
C11 C12 H12 122(3) . . ?
C11 C12 C13 118.4(3) . . ?
C13 C12 H12 119(3) . . ?
N2 C13 C12 124.8(3) . . ?
N2 C13 H13 114(2) . . ?
C12 C13 H13 121(2) . . ?
C15 C14 Rh1 70.37(15) . . ?
C15 C14 C18 106.9(3) . . ?
C15 C14 C19 127.4(3) . . ?
C18 C14 Rh1 69.14(14) . . ?
C18 C14 C19 125.6(3) . . ?
C19 C14 Rh1 126.3(2) . . ?
C14 C15 Rh1 72.55(14) . . ?
C14 C15 C16 108.9(2) . . ?
C14 C15 C20 126.0(3) . . ?
C16 C15 Rh1 73.64(14) . . ?
C16 C15 C20 124.8(3) . . ?
C20 C15 Rh1 125.2(2) . . ?
C15 C16 Rh1 68.66(15) . . ?
C15 C16 C21 125.5(3) . . ?
C17 C16 Rh1 71.73(15) . . ?
C17 C16 C15 107.6(3) . . ?
C17 C16 C21 126.7(3) . . ?
C21 C16 Rh1 129.32(19) . . ?
C16 C17 Rh1 72.19(15) . . ?
C16 C17 C18 107.4(2) . . ?
C16 C17 C22 126.6(3) . . ?
C18 C17 Rh1 67.80(14) . . ?
C18 C17 C22 125.9(2) . . ?
C22 C17 Rh1 126.34(19) . . ?
C14 C18 Rh1 73.32(15) . . ?
C14 C18 C17 108.8(2) . . ?
C14 C18 C23 124.8(3) . . ?
C17 C18 Rh1 74.32(14) . . ?
C17 C18 C23 125.2(3) . . ?
C23 C18 Rh1 128.3(2) . . ?
C14 C19 H19A 109.5 . . ?
C14 C19 H19B 109.5 . . ?
C14 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C15 C20 H20A 114(3) . . ?
C15 C20 H20B 118(3) . . ?
C15 C20 H20C 111(4) . . ?
H20A C20 H20B 104(5) . . ?
H20A C20 H20C 105(5) . . ?
H20B C20 H20C 104(5) . . ?
C16 C21 H21A 109.5 . . ?
C16 C21 H21B 109.5 . . ?
C16 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C17 C22 H22A 108(3) . . ?
C17 C22 H22B 113(3) . . ?
C17 C22 H22C 109(3) . . ?
H22A C22 H22B 103(4) . . ?
H22A C22 H22C 107(4) . . ?
H22B C22 H22C 117(4) . . ?
C18 C23 H23A 107(3) . . ?
C18 C23 H23B 108(3) . . ?
C18 C23 H23C 111(2) . . ?
H23A C23 H23B 105(4) . . ?
H23A C23 H23C 112(4) . . ?
H23B C23 H23C 114(4) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Rh1 N1 C1 C2 -177.2(3) . . . . ?
Rh1 N1 C5 C4 175.2(2) . . . . ?
Rh1 N1 C5 C6 -8.6(3) . . . . ?
Rh1 C9 C10 C11 -108.2(2) . . . . ?
Rh1 C10 C11 C12 -76.5(3) . . . . ?
Rh1 C14 C15 C16 65.19(18) . . . . ?
Rh1 C14 C15 C20 -121.2(3) . . . . ?
Rh1 C14 C18 C17 -66.41(17) . . . . ?
Rh1 C14 C18 C23 125.4(3) . . . . ?
Rh1 C15 C16 C17 61.52(18) . . . . ?
Rh1 C15 C16 C21 -123.8(3) . . . . ?
Rh1 C16 C17 C18 58.87(17) . . . . ?
Rh1 C16 C17 C22 -122.5(3) . . . . ?
Rh1 C17 C18 C14 65.76(18) . . . . ?
Rh1 C17 C18 C23 -126.1(3) . . . . ?
N1 C1 C2 C3 2.4(5) . . . . ?
N1 C5 C6 C7 -90.0(3) . . . . ?
N1 C5 C6 C8 149.8(2) . . . . ?
N1 C5 C6 C9 28.9(3) . . . . ?
N2 C9 C10 Rh1 111.7(2) . . . . ?
N2 C9 C10 C11 3.5(4) . . . . ?
C1 N1 C5 C4 -1.5(4) . . . . ?
C1 N1 C5 C6 174.7(2) . . . . ?
C1 C2 C3 C4 -1.7(5) . . . . ?
C2 C3 C4 C5 -0.5(5) . . . . ?
C3 C4 C5 N1 2.1(5) . . . . ?
C3 C4 C5 C6 -173.8(3) . . . . ?
C4 C5 C6 C7 86.0(3) . . . . ?
C4 C5 C6 C8 -34.1(4) . . . . ?
C4 C5 C6 C9 -155.0(3) . . . . ?
C5 N1 C1 C2 -0.8(5) . . . . ?
C5 C6 C9 Rh1 -34.9(2) . . . . ?
C5 C6 C9 N2 -167.7(2) . . . . ?
C5 C6 C9 C10 43.9(3) . . . . ?
C6 C9 C10 Rh1 -102.0(2) . . . . ?
C6 C9 C10 C11 149.8(3) . . . . ?
C7 C6 C9 Rh1 82.1(3) . . . . ?
C7 C6 C9 N2 -50.6(3) . . . . ?
C7 C6 C9 C10 160.9(3) . . . . ?
C8 C6 C9 Rh1 -156.9(2) . . . . ?
C8 C6 C9 N2 70.4(3) . . . . ?
C8 C6 C9 C10 -78.1(3) . . . . ?
C9 N2 C13 C12 3.0(4) . . . . ?
C9 C10 C11 C12 0.9(4) . . . . ?
C10 C11 C12 C13 -3.3(5) . . . . ?
C11 C12 C13 N2 1.4(5) . . . . ?
C13 N2 C9 Rh1 77.7(3) . . . . ?
C13 N2 C9 C6 -153.8(2) . . . . ?
C13 N2 C9 C10 -5.4(4) . . . . ?
C14 C15 C16 Rh1 -64.49(18) . . . . ?
C14 C15 C16 C17 -3.0(3) . . . . ?
C14 C15 C16 C21 171.7(2) . . . . ?
C15 C14 C18 Rh1 60.54(18) . . . . ?
C15 C14 C18 C17 -5.9(3) . . . . ?
C15 C14 C18 C23 -174.1(3) . . . . ?
C15 C16 C17 Rh1 -59.56(17) . . . . ?
C15 C16 C17 C18 -0.7(3) . . . . ?
C15 C16 C17 C22 178.0(3) . . . . ?
C16 C17 C18 Rh1 -61.67(17) . . . . ?
C16 C17 C18 C14 4.1(3) . . . . ?
C16 C17 C18 C23 172.2(3) . . . . ?
C18 C14 C15 Rh1 -59.75(18) . . . . ?
C18 C14 C15 C16 5.4(3) . . . . ?
C18 C14 C15 C20 179.1(3) . . . . ?
C19 C14 C15 Rh1 121.2(3) . . . . ?
C19 C14 C15 C16 -173.6(3) . . . . ?
C19 C14 C15 C20 0.0(5) . . . . ?
C19 C14 C18 Rh1 -120.4(3) . . . . ?
C19 C14 C18 C17 173.2(3) . . . . ?
C19 C14 C18 C23 5.0(5) . . . . ?
C20 C15 C16 Rh1 121.8(3) . . . . ?
C20 C15 C16 C17 -176.7(3) . . . . ?
C20 C15 C16 C21 -2.1(4) . . . . ?
C21 C16 C17 Rh1 125.9(3) . . . . ?
C21 C16 C17 C18 -175.2(2) . . . . ?
C21 C16 C17 C22 3.4(4) . . . . ?
C22 C17 C18 Rh1 119.7(3) . . . . ?
C22 C17 C18 C14 -174.6(3) . . . . ?
C22 C17 C18 C23 -6.4(4) . . . . ?


_olex2_submission_special_instructions 'No special instructions were received'
_chemical_properties_physical    Air-sensitive
