#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/95/4079524.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4079524
loop_
_publ_author_name
'Wong, Chin Min'
'Vuong, Khuong Q.'
'Gatus, Mark R. D.'
'Hua, Carol'
'Bhadbhade, Mohan'
'Messerle, Barbara A.'
_publ_section_title
;
 Catalyzed Tandem C--N/C--C Bond Formation for the Synthesis of Tricyclic
 Indoles using Ir(III) Pyrazolyl-1,2,3-Triazolyl Complexes
;
_journal_issue                   21
_journal_name_full               Organometallics
_journal_page_first              7500
_journal_paper_doi               10.1021/om300792b
_journal_volume                  31
_journal_year                    2012
_chemical_formula_moiety
'2(C32 H12 B F23.97), 2(C23 H28 Cl N5 Rh), C H2 Cl2'
_chemical_formula_sum            'C55.5 H41 B Cl2 F24 N5 Rh'
_chemical_formula_weight         1418.55
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2012-07-24 # Formatted by publCIF
;
_cell_angle_alpha                117.365(2)
_cell_angle_beta                 96.805(3)
_cell_angle_gamma                101.470(3)
_cell_formula_units_Z            2
_cell_length_a                   12.4931(16)
_cell_length_b                   16.3598(8)
_cell_length_c                   16.8978(10)
_cell_measurement_reflns_used    9931
_cell_measurement_temperature    152(2)
_cell_measurement_theta_max      30.049
_cell_measurement_theta_min      2.459
_cell_volume                     2917.2(4)
_computing_cell_refinement       'APEX2 (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'APEX2 (Bruker, 2007)'
_computing_molecular_graphics    'SHELXTL-Plus (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      152(2)
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'Bruker kappa APEXII CCD Diffractometer'
_diffrn_measurement_method       'φ scans, and ω scans with κ offsets'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0842
_diffrn_reflns_av_sigmaI/netI    0.0525
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            33968
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.12
_exptl_absorpt_coefficient_mu    0.504
_exptl_absorpt_correction_T_max  0.9718
_exptl_absorpt_correction_T_min  0.8513
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2001)'
_exptl_crystal_colour            'Yellow orange'
_exptl_crystal_density_diffrn    1.615
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Blocks
_exptl_crystal_F_000             1418
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.610
_refine_diff_density_min         -0.816
_refine_diff_density_rms         0.119
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     865
_refine_ls_number_reflns         10077
_refine_ls_number_restraints     174
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.0441
_refine_ls_R_factor_gt           0.0346
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0397P)²+1.9149P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0783
_refine_ls_wR_factor_ref         0.0822
_reflns_number_gt                8671
_reflns_number_total             10077
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om300792b_si_003.cif
_cod_data_source_block           carol5_p1bar
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from
2011-04-26.

'_exptl_absorpt_correction_type' value 'Multi-scan'
changed to 'multi-scan' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C55.50 H41 B Cl2 F24 N5 Rh'
_cod_database_code               4079524
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh -0.125948(14) 0.837072(12) 0.622087(12) 0.01819(7) Uani 1 1 d . . .
N1 N -0.05809(16) 1.05971(13) 0.74884(13) 0.0244(4) Uani 1 1 d . . .
N2 N -0.14199(16) 0.97588(13) 0.70863(13) 0.0244(4) Uani 1 1 d . . .
C3 C -0.2351(2) 1.00106(19) 0.72737(18) 0.0312(6) Uani 1 1 d . . .
H3 H -0.3079 0.9571 0.7073 0.037 Uiso 1 1 calc R . .
C4 C -0.2111(2) 1.10006(19) 0.78006(19) 0.0375(6) Uani 1 1 d . . .
H4 H -0.2624 1.1358 0.8028 0.045 Uiso 1 1 calc R . .
C5 C -0.0979(2) 1.13530(18) 0.79230(17) 0.0320(6) Uani 1 1 d . . .
H5 H -0.0552 1.2011 0.8254 0.038 Uiso 1 1 calc R . .
C1A C 0.0575(2) 1.05996(17) 0.74510(16) 0.0264(5) Uani 1 1 d . . .
H1A1 H 0.0851 1.0315 0.7811 0.032 Uiso 1 1 calc R . .
H2A1 H 0.1053 1.1271 0.7735 0.032 Uiso 1 1 calc R . .
N1' N 0.11210(16) 0.94430(13) 0.51800(13) 0.0225(4) Uani 1 1 d . . .
N2' N 0.02956(16) 0.87502(13) 0.51276(13) 0.0226(4) Uani 1 1 d . . .
N3' N 0.00299(15) 0.91222(13) 0.59237(12) 0.0203(4) Uani 1 1 d . . .
C4' C 0.06839(19) 1.00432(15) 0.64816(16) 0.0215(5) Uani 1 1 d . . .
C5' C 0.1387(2) 1.02515(16) 0.60001(17) 0.0260(5) Uani 1 1 d . . .
H5' H 0.1943 1.0839 0.6200 0.031 Uiso 1 1 calc R . .
C6' C 0.1682(2) 0.92173(17) 0.44165(17) 0.0264(5) Uani 1 1 d . . .
H16' H 0.1976 0.9808 0.4386 0.032 Uiso 1 1 calc R . .
H26' H 0.1127 0.8744 0.3831 0.032 Uiso 1 1 calc R . .
C7' C 0.2635(2) 0.88165(17) 0.45351(16) 0.0251(5) Uani 1 1 d . . .
C8' C 0.2491(2) 0.78423(18) 0.40719(18) 0.0328(6) Uani 1 1 d . . .
H8' H 0.1782 0.7418 0.3673 0.039 Uiso 1 1 calc R . .
C9' C 0.3372(2) 0.7472(2) 0.4182(2) 0.0405(7) Uani 1 1 d . . .
H9' H 0.3264 0.6798 0.3858 0.049 Uiso 1 1 calc R . .
C10' C 0.4389(2) 0.8073(2) 0.4753(2) 0.0415(7) Uani 1 1 d . . .
H10' H 0.4996 0.7820 0.4813 0.050 Uiso 1 1 calc R . .
C11' C 0.4538(2) 0.9052(2) 0.5246(2) 0.0446(7) Uani 1 1 d . . .
H11' H 0.5240 0.9470 0.5661 0.053 Uiso 1 1 calc R . .
C12' C 0.3665(2) 0.94225(19) 0.51361(18) 0.0354(6) Uani 1 1 d . . .
H12' H 0.3770 1.0096 0.5474 0.043 Uiso 1 1 calc R . .
C1B C -0.0373(2) 0.73781(17) 0.62490(17) 0.0257(5) Uani 1 1 d . . .
C2B C -0.1436(2) 0.68694(16) 0.56043(17) 0.0262(5) Uani 1 1 d . . .
C3B C -0.2297(2) 0.70767(17) 0.61038(18) 0.0286(6) Uani 1 1 d . . .
C4B C -0.1762(2) 0.77315(18) 0.70370(18) 0.0283(5) Uani 1 1 d . . .
C5B C -0.0559(2) 0.79381(17) 0.71370(17) 0.0266(5) Uani 1 1 d . . .
C6B C 0.0747(2) 0.7343(2) 0.6037(2) 0.0437(7) Uani 1 1 d . . .
H6B1 H 0.0964 0.6827 0.6098 0.065 Uiso 1 1 calc R . .
H6B2 H 0.1309 0.7959 0.6467 0.065 Uiso 1 1 calc R . .
H6B3 H 0.0705 0.7221 0.5408 0.065 Uiso 1 1 calc R . .
C7B C -0.1626(3) 0.6184(2) 0.45977(19) 0.0470(8) Uani 1 1 d . . .
H7B1 H -0.0984 0.6378 0.4377 0.070 Uiso 1 1 calc R . .
H7B2 H -0.2315 0.6194 0.4262 0.070 Uiso 1 1 calc R . .
H7B3 H -0.1702 0.5534 0.4497 0.070 Uiso 1 1 calc R . .
C8B C -0.3535(2) 0.6645(2) 0.5698(2) 0.0495(8) Uani 1 1 d . . .
H8B1 H -0.3768 0.6011 0.5646 0.074 Uiso 1 1 calc R . .
H8B2 H -0.3713 0.6579 0.5087 0.074 Uiso 1 1 calc R . .
H8B3 H -0.3936 0.7063 0.6094 0.074 Uiso 1 1 calc R . .
C9B C -0.2338(3) 0.8146(2) 0.7795(2) 0.0507(8) Uani 1 1 d . . .
H9B1 H -0.3061 0.8192 0.7550 0.076 Uiso 1 1 calc R . .
H9B2 H -0.1863 0.8788 0.8267 0.076 Uiso 1 1 calc R . .
H9B3 H -0.2466 0.7730 0.8067 0.076 Uiso 1 1 calc R . .
C10B C 0.0326(3) 0.8532(2) 0.8017(2) 0.0463(8) Uani 1 1 d . . .
H10B H 0.0450 0.8133 0.8289 0.069 Uiso 1 1 calc R . .
H10C H 0.0079 0.9067 0.8443 0.069 Uiso 1 1 calc R . .
H10D H 0.1029 0.8785 0.7896 0.069 Uiso 1 1 calc R . .
Cl1A Cl -0.25709(5) 0.82822(4) 0.50027(4) 0.02530(13) Uani 1 1 d . . .
B1C B 0.2470(2) 0.67635(18) 0.89586(18) 0.0198(5) Uani 1 1 d . . .
C11C C 0.30132(18) 0.76830(16) 0.88349(15) 0.0200(5) Uani 1 1 d . . .
C12C C 0.30781(19) 0.86199(16) 0.94991(16) 0.0226(5) Uani 1 1 d . . .
H12C H 0.2906 0.8726 1.0065 0.027 Uiso 1 1 calc R . .
C13C C 0.33847(19) 0.93994(16) 0.93603(17) 0.0249(5) Uani 1 1 d . . .
C14C C 0.3663(2) 0.92795(18) 0.85531(18) 0.0293(6) Uani 1 1 d . . .
H14C H 0.3885 0.9813 0.8460 0.035 Uiso 1 1 calc R . .
C15C C 0.3608(2) 0.83619(17) 0.78835(17) 0.0262(5) Uani 1 1 d . . .
C16C C 0.32755(19) 0.75816(17) 0.80193(16) 0.0227(5) Uani 1 1 d . . .
H16C H 0.3225 0.6958 0.7541 0.027 Uiso 1 1 calc R . .
C17C C 0.3345(2) 1.03623(18) 1.0064(2) 0.0368(6) Uani 1 1 d . . .
C18C C 0.3913(2) 0.8226(2) 0.7011(2) 0.0369(6) Uani 1 1 d . . .
F1C F 0.36572(16) 1.05330(12) 1.09257(12) 0.0563(5) Uani 1 1 d . . .
F2C F 0.4024(2) 1.10857(12) 1.00495(16) 0.0786(7) Uani 1 1 d . . .
F3C F 0.23199(16) 1.04565(13) 0.99833(14) 0.0703(6) Uani 1 1 d . . .
F4C F 0.49982(15) 0.85991(19) 0.71276(14) 0.0750(7) Uani 1 1 d . . .
F5C F 0.34020(15) 0.86727(15) 0.66573(13) 0.0585(5) Uani 1 1 d . . .
F6C F 0.3605(2) 0.73232(15) 0.63481(13) 0.0816(7) Uani 1 1 d . . .
C21C C 0.11103(18) 0.65675(15) 0.86319(15) 0.0203(5) Uani 1 1 d . . .
C22C C 0.04848(19) 0.70416(16) 0.92364(16) 0.0216(5) Uani 1 1 d . . .
H22C H 0.0852 0.7470 0.9865 0.026 Uiso 1 1 calc R . .
C23C C -0.06543(19) 0.69069(16) 0.89480(16) 0.0236(5) Uani 1 1 d . . .
C24C C -0.12278(19) 0.62879(17) 0.80394(17) 0.0242(5) Uani 1 1 d . . .
H24C H -0.2011 0.6187 0.7844 0.029 Uiso 1 1 calc R . .
C25C C -0.06237(19) 0.58204(16) 0.74242(16) 0.0232(5) Uani 1 1 d . . .
C26C C 0.05199(19) 0.59635(16) 0.77175(16) 0.0218(5) Uani 1 1 d . . .
H26C H 0.0913 0.5638 0.7279 0.026 Uiso 1 1 calc R . .
C27C C -0.1251(2) 0.7440(2) 0.96536(18) 0.0332(6) Uani 1 1 d . . .
C28C C -0.1189(2) 0.51174(17) 0.64410(18) 0.0291(6) Uani 1 1 d . . .
F7C F -0.12247(16) 0.72041(15) 1.03129(12) 0.0556(5) Uani 1 1 d . . .
F8C F -0.07698(15) 0.83914(12) 1.00959(13) 0.0582(5) Uani 1 1 d . . .
F9C F -0.23251(13) 0.72981(14) 0.93082(11) 0.0492(4) Uani 1 1 d . . .
F10C F -0.22476(13) 0.51106(13) 0.62053(12) 0.0540(5) Uani 1 1 d . . .
F11C F -0.06544(14) 0.52827(11) 0.58625(10) 0.0420(4) Uani 1 1 d . . .
F12C F -0.12069(14) 0.42167(10) 0.62268(11) 0.0432(4) Uani 1 1 d . . .
C31C C 0.28422(18) 0.57965(15) 0.83510(15) 0.0192(5) Uani 1 1 d . . .
C32C C 0.38661(19) 0.58032(16) 0.80964(16) 0.0228(5) Uani 1 1 d . . .
H32C H 0.4367 0.6399 0.8243 0.027 Uiso 1 1 calc R . .
C33C C 0.41760(19) 0.49685(17) 0.76367(16) 0.0256(5) Uani 1 1 d . A .
C34C C 0.3493(2) 0.40838(17) 0.74437(16) 0.0266(5) Uani 1 1 d . . .
H34C H 0.3707 0.3512 0.7135 0.032 Uiso 1 1 calc R . .
C35C C 0.24935(19) 0.40687(16) 0.77180(15) 0.0233(5) Uani 1 1 d . . .
C36C C 0.21702(19) 0.48991(16) 0.81475(15) 0.0212(5) Uani 1 1 d . . .
H36C H 0.1467 0.4858 0.8310 0.025 Uiso 1 1 calc R . .
C37C C 0.5249(2) 0.50055(19) 0.7336(2) 0.0402(7) Uani 1 1 d DU . .
C38C C 0.1731(2) 0.31513(17) 0.75534(18) 0.0327(6) Uani 1 1 d . . .
F13C F 0.5631(15) 0.5742(10) 0.7223(12) 0.056(4) Uani 0.33 1 d PDU A 1
F14C F 0.6110(8) 0.5129(12) 0.8022(9) 0.064(3) Uani 0.33 1 d PDU A 1
F15C F 0.5242(7) 0.4219(6) 0.6604(7) 0.0409(18) Uani 0.33 1 d PDU A 1
F131 F 0.5865(13) 0.5896(10) 0.7588(11) 0.045(4) Uani 0.33 1 d PDU A 2
F132 F 0.5956(10) 0.4651(11) 0.7663(11) 0.062(3) Uani 0.33 1 d PDU A 2
F133 F 0.5095(7) 0.4530(9) 0.6432(5) 0.052(2) Uiso 0.33 1 d PDU A 2
F13' F 0.6058(10) 0.5746(11) 0.7923(10) 0.082(5) Uani 0.33 1 d PDU A 3
F14' F 0.5520(11) 0.4194(8) 0.7035(13) 0.066(3) Uani 0.33 1 d PDU A 3
F15' F 0.5068(6) 0.5099(11) 0.6542(7) 0.0653(18) Uani 0.33 1 d PDU A 3
F16C F 0.22208(18) 0.24507(12) 0.73274(18) 0.0790(7) Uani 1 1 d . . .
F17C F 0.08134(18) 0.28209(14) 0.68939(14) 0.0761(7) Uani 1 1 d . . .
F18C F 0.13572(15) 0.32317(11) 0.82815(11) 0.0499(4) Uani 1 1 d . . .
C41C C 0.28249(18) 0.69655(15) 1.00098(15) 0.0196(5) Uani 1 1 d . . .
C42C C 0.38674(19) 0.75505(16) 1.06131(16) 0.0220(5) Uani 1 1 d . . .
H42C H 0.4371 0.7922 1.0442 0.026 Uiso 1 1 calc R . .
C43C C 0.4196(2) 0.76088(16) 1.14607(16) 0.0244(5) Uani 1 1 d . . .
C44C C 0.3492(2) 0.70728(17) 1.17361(16) 0.0263(5) Uani 1 1 d . . .
H44C H 0.3714 0.7111 1.2312 0.032 Uiso 1 1 calc R . .
C45C C 0.2456(2) 0.64816(16) 1.11469(16) 0.0241(5) Uani 1 1 d . . .
C46C C 0.21299(19) 0.64378(16) 1.03116(16) 0.0215(5) Uani 1 1 d . . .
H46C H 0.1407 0.6034 0.9928 0.026 Uiso 1 1 calc R . .
C47C C 0.5292(2) 0.8298(2) 1.20937(19) 0.0397(7) Uani 1 1 d . . .
C48C C 0.1646(2) 0.5886(2) 1.13991(19) 0.0362(6) Uani 1 1 d . . .
F19C F 0.61140(15) 0.83342(18) 1.16750(14) 0.0793(7) Uani 1 1 d . . .
F20C F 0.5238(2) 0.92039(13) 1.25158(16) 0.0842(7) Uani 1 1 d . . .
F21C F 0.56588(15) 0.81301(14) 1.27586(13) 0.0621(5) Uani 1 1 d . . .
F22C F 0.21125(15) 0.57986(13) 1.20893(12) 0.0540(5) Uani 1 1 d . . .
F23C F 0.08278(17) 0.62774(18) 1.16776(18) 0.0807(7) Uani 1 1 d . . .
F24C F 0.11454(19) 0.50126(13) 1.07078(13) 0.0719(6) Uani 1 1 d . . .
C1D C 0.4665(8) 0.5299(7) 0.0122(6) 0.069(2) Uani 0.50 1 d P . .
H1D1 H 0.4414 0.5484 -0.0335 0.083 Uiso 0.50 1 calc PR . .
H1D2 H 0.4924 0.5853 0.0755 0.083 Uiso 0.50 1 calc PR . .
Cl1D Cl 0.6051(4) 0.5558(5) -0.0022(3) 0.149(2) Uani 0.50 1 d P . .
Cl2D Cl 0.5756(4) 0.5966(3) 0.0265(3) 0.1067(14) Uani 0.50 1 d P . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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'
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
N3' Rh1 N2 84.00(7) . .
N3' Rh1 C2B 113.98(8) . .
N2 Rh1 C2B 161.47(9) . .
N3' Rh1 C5B 109.74(8) . .
N2 Rh1 C5B 105.20(8) . .
C2B Rh1 C5B 65.63(9) . .
N3' Rh1 C1B 94.24(8) . .
N2 Rh1 C1B 140.79(9) . .
C2B Rh1 C1B 38.80(9) . .
C5B Rh1 C1B 38.90(9) . .
N3' Rh1 C4B 148.32(9) . .
N2 Rh1 C4B 97.31(8) . .
C2B Rh1 C4B 65.18(9) . .
C5B Rh1 C4B 39.24(9) . .
C1B Rh1 C4B 64.93(9) . .
N3' Rh1 C3B 153.23(9) . .
N2 Rh1 C3B 122.75(9) . .
C2B Rh1 C3B 39.28(10) . .
C5B Rh1 C3B 65.16(9) . .
C1B Rh1 C3B 64.90(9) . .
C4B Rh1 C3B 38.17(10) . .
N3' Rh1 Cl1A 88.99(5) . .
N2 Rh1 Cl1A 87.71(6) . .
C2B Rh1 Cl1A 96.66(7) . .
C5B Rh1 Cl1A 157.98(7) . .
C1B Rh1 Cl1A 131.48(7) . .
C4B Rh1 Cl1A 122.67(7) . .
C3B Rh1 Cl1A 92.88(7) . .
C5 N1 N2 110.9(2) . .
C5 N1 C1A 128.2(2) . .
N2 N1 C1A 120.87(18) . .
C3 N2 N1 105.41(19) . .
C3 N2 Rh1 128.67(17) . .
N1 N2 Rh1 125.59(14) . .
N2 C3 C4 110.8(2) . .
N2 C3 H3 124.6 . .
C4 C3 H3 124.6 . .
C5 C4 C3 105.4(2) . .
C5 C4 H4 127.3 . .
C3 C4 H4 127.3 . .
N1 C5 C4 107.4(2) . .
N1 C5 H5 126.3 . .
C4 C5 H5 126.3 . .
N1 C1A C4' 111.90(19) . .
N1 C1A H1A1 109.2 . .
C4' C1A H1A1 109.2 . .
N1 C1A H2A1 109.2 . .
C4' C1A H2A1 109.2 . .
H1A1 C1A H2A1 107.9 . .
N2' N1' C5' 111.91(18) . .
N2' N1' C6' 118.77(18) . .
C5' N1' C6' 129.0(2) . .
N3' N2' N1' 105.57(17) . .
N2' N3' C4' 110.54(18) . .
N2' N3' Rh1 122.60(14) . .
C4' N3' Rh1 126.84(15) . .
N3' C4' C5' 107.02(19) . .
N3' C4' C1A 120.11(19) . .
C5' C4' C1A 132.8(2) . .
N1' C5' C4' 104.97(19) . .
N1' C5' H5' 127.5 . .
C4' C5' H5' 127.5 . .
N1' C6' C7' 111.37(19) . .
N1' C6' H16' 109.4 . .
C7' C6' H16' 109.4 . .
N1' C6' H26' 109.4 . .
C7' C6' H26' 109.4 . .
H16' C6' H26' 108.0 . .
C8' C7' C12' 118.9(2) . .
C8' C7' C6' 120.6(2) . .
C12' C7' C6' 120.5(2) . .
C7' C8' C9' 120.5(3) . .
C7' C8' H8' 119.7 . .
C9' C8' H8' 119.7 . .
C10' C9' C8' 120.2(3) . .
C10' C9' H9' 119.9 . .
C8' C9' H9' 119.9 . .
C9' C10' C11' 120.0(3) . .
C9' C10' H10' 120.0 . .
C11' C10' H10' 120.0 . .
C12' C11' C10' 120.0(3) . .
C12' C11' H11' 120.0 . .
C10' C11' H11' 120.0 . .
C11' C12' C7' 120.4(3) . .
C11' C12' H12' 119.8 . .
C7' C12' H12' 119.8 . .
C2B C1B C5B 108.5(2) . .
C2B C1B C6B 125.9(2) . .
C5B C1B C6B 125.6(2) . .
C2B C1B Rh1 69.75(13) . .
C5B C1B Rh1 70.16(13) . .
C6B C1B Rh1 125.47(17) . .
C1B C2B C3B 107.7(2) . .
C1B C2B C7B 126.0(2) . .
C3B C2B C7B 126.2(2) . .
C1B C2B Rh1 71.45(13) . .
C3B C2B Rh1 71.40(13) . .
C7B C2B Rh1 126.03(17) . .
C4B C3B C2B 108.1(2) . .
C4B C3B C8B 126.5(3) . .
C2B C3B C8B 125.3(3) . .
C4B C3B Rh1 70.89(13) . .
C2B C3B Rh1 69.32(13) . .
C8B C3B Rh1 126.69(18) . .
C3B C4B C5B 108.4(2) . .
C3B C4B C9B 126.0(3) . .
C5B C4B C9B 125.5(3) . .
C3B C4B Rh1 70.95(13) . .
C5B C4B Rh1 69.83(13) . .
C9B C4B Rh1 124.86(18) . .
C1B C5B C4B 107.2(2) . .
C1B C5B C10B 126.0(2) . .
C4B C5B C10B 126.5(2) . .
C1B C5B Rh1 70.94(13) . .
C4B C5B Rh1 70.93(13) . .
C10B C5B Rh1 128.75(17) . .
C1B C6B H6B1 109.5 . .
C1B C6B H6B2 109.5 . .
H6B1 C6B H6B2 109.5 . .
C1B C6B H6B3 109.5 . .
H6B1 C6B H6B3 109.5 . .
H6B2 C6B H6B3 109.5 . .
C2B C7B H7B1 109.5 . .
C2B C7B H7B2 109.5 . .
H7B1 C7B H7B2 109.5 . .
C2B C7B H7B3 109.5 . .
H7B1 C7B H7B3 109.5 . .
H7B2 C7B H7B3 109.5 . .
C3B C8B H8B1 109.5 . .
C3B C8B H8B2 109.5 . .
H8B1 C8B H8B2 109.5 . .
C3B C8B H8B3 109.5 . .
H8B1 C8B H8B3 109.5 . .
H8B2 C8B H8B3 109.5 . .
C4B C9B H9B1 109.5 . .
C4B C9B H9B2 109.5 . .
H9B1 C9B H9B2 109.5 . .
C4B C9B H9B3 109.5 . .
H9B1 C9B H9B3 109.5 . .
H9B2 C9B H9B3 109.5 . .
C5B C10B H10B 109.5 . .
C5B C10B H10C 109.5 . .
H10B C10B H10C 109.5 . .
C5B C10B H10D 109.5 . .
H10B C10B H10D 109.5 . .
H10C C10B H10D 109.5 . .
C41C B1C C11C 113.74(19) . .
C41C B1C C31C 103.55(17) . .
C11C B1C C31C 114.75(18) . .
C41C B1C C21C 111.11(18) . .
C11C B1C C21C 103.22(17) . .
C31C B1C C21C 110.68(18) . .
C16C C11C C12C 115.6(2) . .
C16C C11C B1C 122.8(2) . .
C12C C11C B1C 120.88(19) . .
C13C C12C C11C 122.4(2) . .
C13C C12C H12C 118.8 . .
C11C C12C H12C 118.8 . .
C14C C13C C12C 120.7(2) . .
C14C C13C C17C 119.7(2) . .
C12C C13C C17C 119.5(2) . .
C13C C14C C15C 118.3(2) . .
C13C C14C H14C 120.9 . .
C15C C14C H14C 120.9 . .
C14C C15C C16C 120.7(2) . .
C14C C15C C18C 118.7(2) . .
C16C C15C C18C 120.6(2) . .
C15C C16C C11C 122.3(2) . .
C15C C16C H16C 118.8 . .
C11C C16C H16C 118.8 . .
F3C C17C F2C 107.9(2) . .
F3C C17C F1C 104.9(2) . .
F2C C17C F1C 104.6(2) . .
F3C C17C C13C 112.1(2) . .
F2C C17C C13C 113.6(2) . .
F1C C17C C13C 113.0(2) . .
F6C C18C F4C 108.8(3) . .
F6C C18C F5C 104.3(2) . .
F4C C18C F5C 104.5(2) . .
F6C C18C C15C 113.9(2) . .
F4C C18C C15C 112.9(2) . .
F5C C18C C15C 111.7(2) . .
C26C C21C C22C 115.7(2) . .
C26C C21C B1C 121.8(2) . .
C22C C21C B1C 122.4(2) . .
C23C C22C C21C 122.2(2) . .
C23C C22C H22C 118.9 . .
C21C C22C H22C 118.9 . .
C24C C23C C22C 121.0(2) . .
C24C C23C C27C 121.0(2) . .
C22C C23C C27C 118.0(2) . .
C23C C24C C25C 117.9(2) . .
C23C C24C H24C 121.0 . .
C25C C24C H24C 121.0 . .
C24C C25C C26C 120.7(2) . .
C24C C25C C28C 121.1(2) . .
C26C C25C C28C 118.1(2) . .
C25C C26C C21C 122.4(2) . .
C25C C26C H26C 118.8 . .
C21C C26C H26C 118.8 . .
F9C C27C F7C 106.7(2) . .
F9C C27C F8C 106.5(2) . .
F7C C27C F8C 104.9(2) . .
F9C C27C C23C 113.7(2) . .
F7C C27C C23C 112.4(2) . .
F8C C27C C23C 112.1(2) . .
F10C C28C F12C 107.2(2) . .
F10C C28C F11C 106.3(2) . .
F12C C28C F11C 104.6(2) . .
F10C C28C C25C 113.5(2) . .
F12C C28C C25C 112.0(2) . .
F11C C28C C25C 112.7(2) . .
C32C C31C C36C 115.7(2) . .
C32C C31C B1C 124.36(19) . .
C36C C31C B1C 119.57(19) . .
C33C C32C C31C 122.2(2) . .
C33C C32C H32C 118.9 . .
C31C C32C H32C 118.9 . .
C32C C33C C34C 121.0(2) . .
C32C C33C C37C 120.2(2) . .
C34C C33C C37C 118.8(2) . .
C35C C34C C33C 117.5(2) . .
C35C C34C H34C 121.2 . .
C33C C34C H34C 121.2 . .
C34C C35C C36C 121.2(2) . .
C34C C35C C38C 120.6(2) . .
C36C C35C C38C 118.2(2) . .
C35C C36C C31C 122.3(2) . .
C35C C36C H36C 118.8 . .
C31C C36C H36C 118.8 . .
F13' C37C F15C 131.3(7) . .
F13' C37C F13C 56.9(9) . .
F15C C37C F13C 108.7(8) . .
F13' C37C F14' 113.6(8) . .
F15C C37C F14' 35.0(5) . .
F13C C37C F14' 129.2(10) . .
F13' C37C F133 127.7(8) . .
F15C C37C F133 32.3(4) . .
F13C C37C F133 81.9(8) . .
F14' C37C F133 66.9(6) . .
F13' C37C F131 32.9(7) . .
F15C C37C F131 125.2(8) . .
F13C C37C F131 24.4(8) . .
F14' C37C F131 130.8(9) . .
F133 C37C F131 104.1(8) . .
F13' C37C F132 75.6(8) . .
F15C C37C F132 76.6(6) . .
F13C C37C F132 121.0(9) . .
F14' C37C F132 43.1(5) . .
F133 C37C F132 105.8(7) . .
F131 C37C F132 104.4(8) . .
F13' C37C F14C 48.8(7) . .
F15C C37C F14C 104.9(6) . .
F13C C37C F14C 102.9(8) . .
F14' C37C F14C 72.6(7) . .
F133 C37C F14C 129.8(6) . .
F131 C37C F14C 80.9(8) . .
F132 C37C F14C 29.7(5) . .
F13' C37C F15' 105.5(8) . .
F15C C37C F15' 68.9(5) . .
F13C C37C F15' 49.7(6) . .
F14' C37C F15' 102.7(7) . .
F133 C37C F15' 36.9(4) . .
F131 C37C F15' 74.0(7) . .
F132 C37C F15' 134.1(6) . .
F14C C37C F15' 141.5(6) . .
F13' C37C C33C 113.1(6) . .
F15C C37C C33C 114.6(4) . .
F13C C37C C33C 115.1(9) . .
F14' C37C C33C 113.7(5) . .
F133 C37C C33C 113.1(4) . .
F131 C37C C33C 114.0(8) . .
F132 C37C C33C 114.4(5) . .
F14C C37C C33C 109.6(5) . .
F15' C37C C33C 107.2(3) . .
F17C C38C F18C 104.9(2) . .
F17C C38C F16C 106.7(2) . .
F18C C38C F16C 105.4(2) . .
F17C C38C C35C 112.9(2) . .
F18C C38C C35C 113.2(2) . .
F16C C38C C35C 113.0(2) . .
C42C C41C C46C 115.5(2) . .
C42C C41C B1C 123.84(19) . .
C46C C41C B1C 120.1(2) . .
C41C C42C C43C 122.2(2) . .
C41C C42C H42C 118.9 . .
C43C C42C H42C 118.9 . .
C44C C43C C42C 120.9(2) . .
C44C C43C C47C 120.0(2) . .
C42C C43C C47C 119.0(2) . .
C45C C44C C43C 118.0(2) . .
C45C C44C H44C 121.0 . .
C43C C44C H44C 121.0 . .
C44C C45C C46C 120.8(2) . .
C44C C45C C48C 121.1(2) . .
C46C C45C C48C 118.1(2) . .
C45C C46C C41C 122.7(2) . .
C45C C46C H46C 118.7 . .
C41C C46C H46C 118.7 . .
F19C C47C F21C 106.9(2) . .
F19C C47C F20C 103.7(2) . .
F21C C47C F20C 105.7(2) . .
F19C C47C C43C 113.7(2) . .
F21C C47C C43C 114.0(2) . .
F20C C47C C43C 112.0(2) . .
F24C C48C F22C 107.3(2) . .
F24C C48C F23C 106.2(3) . .
F22C C48C F23C 104.7(2) . .
F24C C48C C45C 112.9(2) . .
F22C C48C C45C 113.5(2) . .
F23C C48C C45C 111.7(2) . .
C1D C1D Cl1D 78.6(9) 2_665 2_665
C1D C1D Cl1D 52.3(7) 2_665 .
Cl1D C1D Cl1D 130.9(5) 2_665 .
C1D C1D Cl2D 53.8(7) 2_665 2_665
Cl1D C1D Cl2D 26.1(3) 2_665 2_665
Cl1D C1D Cl2D 105.6(4) . 2_665
C1D C1D H1D1 115.5 2_665 .
Cl1D C1D H1D1 115.5 2_665 .
Cl1D C1D H1D1 89.1 . .
Cl2D C1D H1D1 115.6 2_665 .
C1D C1D H1D2 115.5 2_665 .
Cl1D C1D H1D2 115.5 2_665 .
Cl1D C1D H1D2 89.1 . .
Cl2D C1D H1D2 129.6 2_665 .
H1D1 C1D H1D2 112.5 . .
Cl2D Cl1D C1D 103.2(7) . 2_665
Cl2D Cl1D C1D 56.2(6) . .
C1D Cl1D C1D 49.1(5) 2_665 .
Cl1D Cl2D C1D 50.8(6) . 2_665
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Rh1 N3' 2.0809(18) .
Rh1 N2 2.1291(19) .
Rh1 C2B 2.132(2) .
Rh1 C5B 2.144(2) .
Rh1 C1B 2.154(2) .
Rh1 C4B 2.159(2) .
Rh1 C3B 2.159(2) .
Rh1 Cl1A 2.4031(6) .
N1 C5 1.346(3) .
N1 N2 1.358(3) .
N1 C1A 1.453(3) .
N2 C3 1.334(3) .
C3 C4 1.387(4) .
C3 H3 0.9500 .
C4 C5 1.368(4) .
C4 H4 0.9500 .
C5 H5 0.9500 .
C1A C4' 1.504(3) .
C1A H1A1 0.9900 .
C1A H2A1 0.9900 .
N1' N2' 1.333(3) .
N1' C5' 1.346(3) .
N1' C6' 1.473(3) .
N2' N3' 1.313(3) .
N3' C4' 1.360(3) .
C4' C5' 1.362(3) .
C5' H5' 0.9500 .
C6' C7' 1.505(3) .
C6' H16' 0.9900 .
C6' H26' 0.9900 .
C7' C8' 1.375(3) .
C7' C12' 1.388(4) .
C8' C9' 1.391(4) .
C8' H8' 0.9500 .
C9' C10' 1.361(4) .
C9' H9' 0.9500 .
C10' C11' 1.383(4) .
C10' H10' 0.9500 .
C11' C12' 1.382(4) .
C11' H11' 0.9500 .
C12' H12' 0.9500 .
C1B C2B 1.424(3) .
C1B C5B 1.431(3) .
C1B C6B 1.491(3) .
C2B C3B 1.442(4) .
C2B C7B 1.501(4) .
C3B C4B 1.412(4) .
C3B C8B 1.494(4) .
C4B C5B 1.445(4) .
C4B C9B 1.494(4) .
C5B C10B 1.494(4) .
C6B H6B1 0.9800 .
C6B H6B2 0.9800 .
C6B H6B3 0.9800 .
C7B H7B1 0.9800 .
C7B H7B2 0.9800 .
C7B H7B3 0.9800 .
C8B H8B1 0.9800 .
C8B H8B2 0.9800 .
C8B H8B3 0.9800 .
C9B H9B1 0.9800 .
C9B H9B2 0.9800 .
C9B H9B3 0.9800 .
C10B H10B 0.9800 .
C10B H10C 0.9800 .
C10B H10D 0.9800 .
B1C C41C 1.636(3) .
B1C C11C 1.638(3) .
B1C C31C 1.639(3) .
B1C C21C 1.641(3) .
C11C C16C 1.397(3) .
C11C C12C 1.401(3) .
C12C C13C 1.389(3) .
C12C H12C 0.9500 .
C13C C14C 1.383(4) .
C13C C17C 1.490(4) .
C14C C15C 1.385(4) .
C14C H14C 0.9500 .
C15C C16C 1.391(3) .
C15C C18C 1.494(4) .
C16C H16C 0.9500 .
C17C F3C 1.319(3) .
C17C F2C 1.324(3) .
C17C F1C 1.340(3) .
C18C F6C 1.318(3) .
C18C F4C 1.321(3) .
C18C F5C 1.340(3) .
C21C C26C 1.394(3) .
C21C C22C 1.399(3) .
C22C C23C 1.387(3) .
C22C H22C 0.9500 .
C23C C24C 1.385(3) .
C23C C27C 1.500(3) .
C24C C25C 1.386(3) .
C24C H24C 0.9500 .
C25C C26C 1.391(3) .
C25C C28C 1.491(3) .
C26C H26C 0.9500 .
C27C F9C 1.327(3) .
C27C F7C 1.336(3) .
C27C F8C 1.339(3) .
C28C F10C 1.332(3) .
C28C F12C 1.341(3) .
C28C F11C 1.342(3) .
C31C C32C 1.397(3) .
C31C C36C 1.398(3) .
C32C C33C 1.387(3) .
C32C H32C 0.9500 .
C33C C34C 1.392(3) .
C33C C37C 1.489(4) .
C34C C35C 1.383(3) .
C34C H34C 0.9500 .
C35C C36C 1.384(3) .
C35C C38C 1.491(3) .
C36C H36C 0.9500 .
C37C F13' 1.282(10) .
C37C F15C 1.310(7) .
C37C F13C 1.312(12) .
C37C F14' 1.317(9) .
C37C F133 1.325(8) .
C37C F131 1.342(13) .
C37C F132 1.343(9) .
C37C F14C 1.395(10) .
C37C F15' 1.418(7) .
C38C F17C 1.321(3) .
C38C F18C 1.327(3) .
C38C F16C 1.329(3) .
C41C C42C 1.394(3) .
C41C C46C 1.404(3) .
C42C C43C 1.396(3) .
C42C H42C 0.9500 .
C43C C44C 1.387(3) .
C43C C47C 1.491(4) .
C44C C45C 1.383(3) .
C44C H44C 0.9500 .
C45C C46C 1.386(3) .
C45C C48C 1.499(3) .
C46C H46C 0.9500 .
C47C F19C 1.321(3) .
C47C F21C 1.327(3) .
C47C F20C 1.337(3) .
C48C F24C 1.317(3) .
C48C F22C 1.322(3) .
C48C F23C 1.331(3) .
C1D C1D 1.365(13) 2_665
C1D Cl1D 1.430(11) 2_665
C1D Cl1D 1.771(11) .
C1D Cl2D 1.798(11) 2_665
C1D H1D1 0.9900 .
C1D H1D2 0.9900 .
Cl1D Cl2D 0.811(5) .
Cl1D C1D 1.430(11) 2_665
Cl2D C1D 1.798(11) 2_665
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_4
C5 N1 N2 C3 0.5(3) . .
C1A N1 N2 C3 178.0(2) . .
C5 N1 N2 Rh1 174.36(16) . .
C1A N1 N2 Rh1 -8.2(3) . .
N3' Rh1 N2 C3 145.1(2) . .
C2B Rh1 N2 C3 -48.4(4) . .
C5B Rh1 N2 C3 -106.0(2) . .
C1B Rh1 N2 C3 -125.5(2) . .
C4B Rh1 N2 C3 -66.8(2) . .
C3B Rh1 N2 C3 -36.1(2) . .
Cl1A Rh1 N2 C3 55.9(2) . .
N3' Rh1 N2 N1 -27.27(18) . .
C2B Rh1 N2 N1 139.3(3) . .
C5B Rh1 N2 N1 81.60(19) . .
C1B Rh1 N2 N1 62.1(2) . .
C4B Rh1 N2 N1 120.86(18) . .
C3B Rh1 N2 N1 151.55(17) . .
Cl1A Rh1 N2 N1 -116.49(17) . .
N1 N2 C3 C4 -0.7(3) . .
Rh1 N2 C3 C4 -174.28(17) . .
N2 C3 C4 C5 0.6(3) . .
N2 N1 C5 C4 -0.2(3) . .
C1A N1 C5 C4 -177.4(2) . .
C3 C4 C5 N1 -0.3(3) . .
C5 N1 C1A C4' -128.7(2) . .
N2 N1 C1A C4' 54.4(3) . .
C5' N1' N2' N3' 0.1(3) . .
C6' N1' N2' N3' 174.24(19) . .
N1' N2' N3' C4' -0.3(2) . .
N1' N2' N3' Rh1 177.97(14) . .
N2 Rh1 N3' N2' -149.78(17) . .
C2B Rh1 N3' N2' 34.87(19) . .
C5B Rh1 N3' N2' 106.19(17) . .
C1B Rh1 N3' N2' 69.56(18) . .
C4B Rh1 N3' N2' 116.0(2) . .
C3B Rh1 N3' N2' 32.4(3) . .
Cl1A Rh1 N3' N2' -61.97(16) . .
N2 Rh1 N3' C4' 28.21(19) . .
C2B Rh1 N3' C4' -147.14(18) . .
C5B Rh1 N3' C4' -75.8(2) . .
C1B Rh1 N3' C4' -112.45(19) . .
C4B Rh1 N3' C4' -66.0(3) . .
C3B Rh1 N3' C4' -149.6(2) . .
Cl1A Rh1 N3' C4' 116.02(18) . .
N2' N3' C4' C5' 0.4(3) . .
Rh1 N3' C4' C5' -177.82(16) . .
N2' N3' C4' C1A -176.6(2) . .
Rh1 N3' C4' C1A 5.2(3) . .
N1 C1A C4' N3' -53.2(3) . .
N1 C1A C4' C5' 130.7(3) . .
N2' N1' C5' C4' 0.1(3) . .
C6' N1' C5' C4' -173.3(2) . .
N3' C4' C5' N1' -0.3(3) . .
C1A C4' C5' N1' 176.2(2) . .
N2' N1' C6' C7' -86.6(3) . .
C5' N1' C6' C7' 86.4(3) . .
N1' C6' C7' C8' 99.4(3) . .
N1' C6' C7' C12' -78.6(3) . .
C12' C7' C8' C9' -2.0(4) . .
C6' C7' C8' C9' -180.0(2) . .
C7' C8' C9' C10' 0.2(4) . .
C8' C9' C10' C11' 1.9(4) . .
C9' C10' C11' C12' -2.1(4) . .
C10' C11' C12' C7' 0.3(4) . .
C8' C7' C12' C11' 1.7(4) . .
C6' C7' C12' C11' 179.8(2) . .
N3' Rh1 C1B C2B -123.93(14) . .
N2 Rh1 C1B C2B 150.36(14) . .
C5B Rh1 C1B C2B 119.5(2) . .
C4B Rh1 C1B C2B 80.92(15) . .
C3B Rh1 C1B C2B 38.59(14) . .
Cl1A Rh1 C1B C2B -31.53(17) . .
N3' Rh1 C1B C5B 116.57(14) . .
N2 Rh1 C1B C5B 30.86(19) . .
C2B Rh1 C1B C5B -119.5(2) . .
C4B Rh1 C1B C5B -38.58(14) . .
C3B Rh1 C1B C5B -80.90(15) . .
Cl1A Rh1 C1B C5B -151.03(11) . .
N3' Rh1 C1B C6B -3.6(2) . .
N2 Rh1 C1B C6B -89.3(3) . .
C2B Rh1 C1B C6B 120.4(3) . .
C5B Rh1 C1B C6B -120.1(3) . .
C4B Rh1 C1B C6B -158.7(3) . .
C3B Rh1 C1B C6B 159.0(3) . .
Cl1A Rh1 C1B C6B 88.8(2) . .
C5B C1B C2B C3B -2.9(3) . .
C6B C1B C2B C3B 177.6(2) . .
Rh1 C1B C2B C3B -62.59(15) . .
C5B C1B C2B C7B -178.8(2) . .
C6B C1B C2B C7B 1.8(4) . .
Rh1 C1B C2B C7B 121.5(2) . .
C5B C1B C2B Rh1 59.68(16) . .
C6B C1B C2B Rh1 -119.8(2) . .
N3' Rh1 C2B C1B 64.91(15) . .
N2 Rh1 C2B C1B -100.4(3) . .
C5B Rh1 C2B C1B -36.88(14) . .
C4B Rh1 C2B C1B -80.22(15) . .
C3B Rh1 C2B C1B -116.8(2) . .
Cl1A Rh1 C2B C1B 156.77(13) . .
N3' Rh1 C2B C3B -178.26(13) . .
N2 Rh1 C2B C3B 16.4(3) . .
C5B Rh1 C2B C3B 79.96(15) . .
C1B Rh1 C2B C3B 116.8(2) . .
C4B Rh1 C2B C3B 36.61(14) . .
Cl1A Rh1 C2B C3B -86.40(13) . .
N3' Rh1 C2B C7B -56.6(3) . .
N2 Rh1 C2B C7B 138.1(3) . .
C5B Rh1 C2B C7B -158.4(3) . .
C1B Rh1 C2B C7B -121.5(3) . .
C4B Rh1 C2B C7B 158.3(3) . .
C3B Rh1 C2B C7B 121.7(3) . .
Cl1A Rh1 C2B C7B 35.3(2) . .
C1B C2B C3B C4B 2.1(3) . .
C7B C2B C3B C4B 177.9(2) . .
Rh1 C2B C3B C4B -60.55(16) . .
C1B C2B C3B C8B -176.4(2) . .
C7B C2B C3B C8B -0.5(4) . .
Rh1 C2B C3B C8B 121.0(2) . .
C1B C2B C3B Rh1 62.63(15) . .
C7B C2B C3B Rh1 -121.5(2) . .
N3' Rh1 C3B C4B 122.4(2) . .
N2 Rh1 C3B C4B -55.02(16) . .
C2B Rh1 C3B C4B 118.8(2) . .
C5B Rh1 C3B C4B 37.61(14) . .
C1B Rh1 C3B C4B 80.71(15) . .
Cl1A Rh1 C3B C4B -144.15(13) . .
N3' Rh1 C3B C2B 3.5(3) . .
N2 Rh1 C3B C2B -173.87(13) . .
C5B Rh1 C3B C2B -81.23(15) . .
C1B Rh1 C3B C2B -38.13(14) . .
C4B Rh1 C3B C2B -118.8(2) . .
Cl1A Rh1 C3B C2B 97.00(13) . .
N3' Rh1 C3B C8B -115.8(3) . .
N2 Rh1 C3B C8B 66.8(3) . .
C2B Rh1 C3B C8B -119.3(3) . .
C5B Rh1 C3B C8B 159.4(3) . .
C1B Rh1 C3B C8B -157.5(3) . .
C4B Rh1 C3B C8B 121.8(3) . .
Cl1A Rh1 C3B C8B -22.3(3) . .
C2B C3B C4B C5B -0.5(3) . .
C8B C3B C4B C5B 178.0(2) . .
Rh1 C3B C4B C5B -60.02(16) . .
C2B C3B C4B C9B 179.3(2) . .
C8B C3B C4B C9B -2.3(4) . .
Rh1 C3B C4B C9B 119.8(2) . .
C2B C3B C4B Rh1 59.57(16) . .
C8B C3B C4B Rh1 -122.0(2) . .
N3' Rh1 C4B C3B -133.59(17) . .
N2 Rh1 C4B C3B 135.99(14) . .
C2B Rh1 C4B C3B -37.66(14) . .
C5B Rh1 C4B C3B -118.9(2) . .
C1B Rh1 C4B C3B -80.64(15) . .
Cl1A Rh1 C4B C3B 44.01(16) . .
N3' Rh1 C4B C5B -14.7(2) . .
N2 Rh1 C4B C5B -105.12(14) . .
C2B Rh1 C4B C5B 81.23(15) . .
C1B Rh1 C4B C5B 38.25(14) . .
C3B Rh1 C4B C5B 118.9(2) . .
Cl1A Rh1 C4B C5B 162.90(11) . .
N3' Rh1 C4B C9B 105.2(3) . .
N2 Rh1 C4B C9B 14.8(3) . .
C2B Rh1 C4B C9B -158.8(3) . .
C5B Rh1 C4B C9B 119.9(3) . .
C1B Rh1 C4B C9B 158.2(3) . .
C3B Rh1 C4B C9B -121.2(3) . .
Cl1A Rh1 C4B C9B -77.2(3) . .
C2B C1B C5B C4B 2.6(3) . .
C6B C1B C5B C4B -177.9(2) . .
Rh1 C1B C5B C4B 62.05(15) . .
C2B C1B C5B C10B 176.0(2) . .
C6B C1B C5B C10B -4.5(4) . .
Rh1 C1B C5B C10B -124.6(2) . .
C2B C1B C5B Rh1 -59.43(16) . .
C6B C1B C5B Rh1 120.0(2) . .
C3B C4B C5B C1B -1.3(3) . .
C9B C4B C5B C1B 178.9(2) . .
Rh1 C4B C5B C1B -62.05(15) . .
C3B C4B C5B C10B -174.7(2) . .
C9B C4B C5B C10B 5.5(4) . .
Rh1 C4B C5B C10B 124.6(2) . .
C3B C4B C5B Rh1 60.73(16) . .
C9B C4B C5B Rh1 -119.1(2) . .
N3' Rh1 C5B C1B -71.37(14) . .
N2 Rh1 C5B C1B -160.36(13) . .
C2B Rh1 C5B C1B 36.79(14) . .
C4B Rh1 C5B C1B 116.8(2) . .
C3B Rh1 C5B C1B 80.17(15) . .
Cl1A Rh1 C5B C1B 75.5(2) . .
N3' Rh1 C5B C4B 171.86(13) . .
N2 Rh1 C5B C4B 82.86(14) . .
C2B Rh1 C5B C4B -79.99(15) . .
C1B Rh1 C5B C4B -116.8(2) . .
C3B Rh1 C5B C4B -36.60(14) . .
Cl1A Rh1 C5B C4B -41.3(3) . .
N3' Rh1 C5B C10B 49.9(3) . .
N2 Rh1 C5B C10B -39.1(3) . .
C2B Rh1 C5B C10B 158.1(3) . .
C1B Rh1 C5B C10B 121.3(3) . .
C4B Rh1 C5B C10B -121.9(3) . .
C3B Rh1 C5B C10B -158.5(3) . .
Cl1A Rh1 C5B C10B -163.24(19) . .
C41C B1C C11C C16C 149.7(2) . .
C31C B1C C11C C16C 30.7(3) . .
C21C B1C C11C C16C -89.8(2) . .
C41C B1C C11C C12C -40.4(3) . .
C31C B1C C11C C12C -159.4(2) . .
C21C B1C C11C C12C 80.1(2) . .
C16C C11C C12C C13C -0.1(3) . .
B1C C11C C12C C13C -170.8(2) . .
C11C C12C C13C C14C -1.2(4) . .
C11C C12C C13C C17C 175.0(2) . .
C12C C13C C14C C15C 1.1(4) . .
C17C C13C C14C C15C -175.1(2) . .
C13C C14C C15C C16C 0.4(4) . .
C13C C14C C15C C18C -179.6(2) . .
C14C C15C C16C C11C -1.8(4) . .
C18C C15C C16C C11C 178.2(2) . .
C12C C11C C16C C15C 1.6(3) . .
B1C C11C C16C C15C 172.1(2) . .
C14C C13C C17C F3C 94.9(3) . .
C12C C13C C17C F3C -81.4(3) . .
C14C C13C C17C F2C -27.8(4) . .
C12C C13C C17C F2C 155.9(2) . .
C14C C13C C17C F1C -146.8(2) . .
C12C C13C C17C F1C 36.9(3) . .
C14C C15C C18C F6C -166.0(2) . .
C16C C15C C18C F6C 14.0(4) . .
C14C C15C C18C F4C 69.3(3) . .
C16C C15C C18C F4C -110.7(3) . .
C14C C15C C18C F5C -48.1(3) . .
C16C C15C C18C F5C 131.9(2) . .
C41C B1C C21C C26C -149.1(2) . .
C11C B1C C21C C26C 88.7(2) . .
C31C B1C C21C C26C -34.6(3) . .
C41C B1C C21C C22C 35.3(3) . .
C11C B1C C21C C22C -87.0(2) . .
C31C B1C C21C C22C 149.8(2) . .
C26C C21C C22C C23C 1.1(3) . .
B1C C21C C22C C23C 176.9(2) . .
C21C C22C C23C C24C 0.2(3) . .
C21C C22C C23C C27C 179.2(2) . .
C22C C23C C24C C25C -1.1(3) . .
C27C C23C C24C C25C 179.9(2) . .
C23C C24C C25C C26C 0.8(3) . .
C23C C24C C25C C28C 177.9(2) . .
C24C C25C C26C C21C 0.6(3) . .
C28C C25C C26C C21C -176.6(2) . .
C22C C21C C26C C25C -1.5(3) . .
B1C C21C C26C C25C -177.4(2) . .
C24C C23C C27C F9C -3.6(3) . .
C22C C23C C27C F9C 177.3(2) . .
C24C C23C C27C F7C 117.7(3) . .
C22C C23C C27C F7C -61.3(3) . .
C24C C23C C27C F8C -124.4(2) . .
C22C C23C C27C F8C 56.5(3) . .
C24C C25C C28C F10C 9.9(3) . .
C26C C25C C28C F10C -172.9(2) . .
C24C C25C C28C F12C -111.6(2) . .
C26C C25C C28C F12C 65.6(3) . .
C24C C25C C28C F11C 130.8(2) . .
C26C C25C C28C F11C -52.0(3) . .
C41C B1C C31C C32C -95.2(2) . .
C11C B1C C31C C32C 29.3(3) . .
C21C B1C C31C C32C 145.6(2) . .
C41C B1C C31C C36C 77.3(2) . .
C11C B1C C31C C36C -158.2(2) . .
C21C B1C C31C C36C -41.9(3) . .
C36C C31C C32C C33C 2.6(3) . .
B1C C31C C32C C33C 175.4(2) . .
C31C C32C C33C C34C -2.9(4) . .
C31C C32C C33C C37C 176.8(2) . .
C32C C33C C34C C35C 0.7(4) . .
C37C C33C C34C C35C -179.0(2) . .
C33C C34C C35C C36C 1.6(4) . .
C33C C34C C35C C38C -178.7(2) . .
C34C C35C C36C C31C -1.9(4) . .
C38C C35C C36C C31C 178.4(2) . .
C32C C31C C36C C35C -0.3(3) . .
B1C C31C C36C C35C -173.4(2) . .
C32C C33C C37C F13' 38.9(11) . .
C34C C33C C37C F13' -141.4(11) . .
C32C C33C C37C F15C -151.1(7) . .
C34C C33C C37C F15C 28.6(8) . .
C32C C33C C37C F13C -24.0(9) . .
C34C C33C C37C F13C 155.7(9) . .
C32C C33C C37C F14' 170.4(9) . .
C34C C33C C37C F14' -9.9(10) . .
C32C C33C C37C F133 -115.8(7) . .
C34C C33C C37C F133 63.9(8) . .
C32C C33C C37C F131 2.8(8) . .
C34C C33C C37C F131 -177.5(8) . .
C32C C33C C37C F132 123.0(9) . .
C34C C33C C37C F132 -57.3(9) . .
C32C C33C C37C F14C 91.3(8) . .
C34C C33C C37C F14C -89.0(8) . .
C32C C33C C37C F15' -76.9(7) . .
C34C C33C C37C F15' 102.8(7) . .
C34C C35C C38C F17C -107.1(3) . .
C36C C35C C38C F17C 72.6(3) . .
C34C C35C C38C F18C 133.9(2) . .
C36C C35C C38C F18C -46.4(3) . .
C34C C35C C38C F16C 14.1(4) . .
C36C C35C C38C F16C -166.1(2) . .
C11C B1C C41C C42C -33.9(3) . .
C31C B1C C41C C42C 91.3(2) . .
C21C B1C C41C C42C -149.9(2) . .
C11C B1C C41C C46C 155.1(2) . .
C31C B1C C41C C46C -79.7(2) . .
C21C B1C C41C C46C 39.1(3) . .
C46C C41C C42C C43C -0.2(3) . .
B1C C41C C42C C43C -171.5(2) . .
C41C C42C C43C C44C 0.6(3) . .
C41C C42C C43C C47C -176.1(2) . .
C42C C43C C44C C45C -0.1(3) . .
C47C C43C C44C C45C 176.5(2) . .
C43C C44C C45C C46C -0.8(3) . .
C43C C44C C45C C48C -179.5(2) . .
C44C C45C C46C C41C 1.3(3) . .
C48C C45C C46C C41C -180.0(2) . .
C42C C41C C46C C45C -0.8(3) . .
B1C C41C C46C C45C 170.9(2) . .
C44C C43C C47C F19C 142.6(3) . .
C42C C43C C47C F19C -40.7(3) . .
C44C C43C C47C F21C 19.8(4) . .
C42C C43C C47C F21C -163.6(2) . .
C44C C43C C47C F20C -100.2(3) . .
C42C C43C C47C F20C 76.5(3) . .
C44C C45C C48C F24C -138.4(3) . .
C46C C45C C48C F24C 42.9(3) . .
C44C C45C C48C F22C -16.0(3) . .
C46C C45C C48C F22C 165.2(2) . .
C44C C45C C48C F23C 102.0(3) . .
C46C C45C C48C F23C -76.7(3) . .
C1D C1D Cl1D Cl2D -160.8(11) 2_665 .
Cl1D C1D Cl1D Cl2D -160.8(11) 2_665 .
Cl2D C1D Cl1D Cl2D -168.1(7) 2_665 .
Cl1D C1D Cl1D C1D 0.0 2_665 2_665
Cl2D C1D Cl1D C1D -7.4(4) 2_665 2_665
C1D Cl1D Cl2D C1D 14.8(8) . 2_665
