#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/69/7016993.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_7016993
loop_
_publ_author_name
'Ho, Joanne H. H.'
'Wagler, Jörg'
'Willis, Anthony C.'
'Messerle, Barbara A.'
_publ_section_title
;
 Synthesis and structures of homo- and heterobimetallic rhodium(i) and/or
 iridium(i) complexes of binucleating bis(1-pyrazolyl)methane ligands.
;
_journal_issue                   41
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11031
_journal_page_last               11042
_journal_paper_doi               10.1039/c1dt10499c
_journal_volume                  40
_journal_year                    2011
_chemical_formula_moiety
'C36 H42 N8 Rh2, 2(C32 H12 B F24), 0.3(C H2 Cl2)'
_chemical_formula_sum            'C100.3 H66.6 B2 Cl0.6 F48 N8 Rh2'
_chemical_formula_weight         2544.53
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 103.5880(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.1485(3)
_cell_length_b                   26.1740(6)
_cell_length_c                   15.2911(3)
_cell_measurement_reflns_used    9777
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      30.00
_cell_measurement_theta_min      2.33
_cell_volume                     5115.12(19)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Ortep32 (Farugia)'
_computing_publication_material  'Shelx-97/ciftab(Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.966
_diffrn_measured_fraction_theta_max 0.966
_diffrn_measurement_device_type  'CCD aea detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0204
_diffrn_reflns_av_sigmaI/netI    0.0241
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            54454
_diffrn_reflns_theta_full        30.00
_diffrn_reflns_theta_max         30.00
_diffrn_reflns_theta_min         2.41
_exptl_absorpt_coefficient_mu    0.478
_exptl_absorpt_correction_T_max  0.9105
_exptl_absorpt_correction_T_min  0.8658
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.652
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       piece
_exptl_crystal_F_000             2533.2
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.506
_refine_diff_density_min         -0.704
_refine_diff_density_rms         0.072
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     788
_refine_ls_number_reflns         14416
_refine_ls_number_restraints     47
_refine_ls_restrained_S_all      1.063
_refine_ls_R_factor_all          0.0521
_refine_ls_R_factor_gt           0.0390
_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)+(0.0492P)²+4.3632P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0983
_refine_ls_wR_factor_ref         0.1034
_reflns_number_gt                11927
_reflns_number_total             14416
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1dt10499c.txt
_cod_data_source_block           compound2
_cod_original_sg_symbol_Hall     -P2yn
_cod_original_sg_symbol_H-M      P21/n
_cod_original_formula_sum        'C100.30 H66.60 B2 Cl0.60 F48 N8 Rh2 '
_cod_database_code               7016993
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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 0.205541(12) -0.004830(5) 0.371941(10) 0.01963(5) Uani 1 1 d . . .
N1 N 0.18839(13) 0.00549(6) 0.50406(12) 0.0228(3) Uani 1 1 d . . .
N2 N 0.25033(13) 0.03964(6) 0.55930(11) 0.0222(3) Uani 1 1 d . . .
N3 N 0.24068(13) 0.07326(6) 0.37242(11) 0.0208(3) Uani 1 1 d . . .
N4 N 0.28709(13) 0.09711(6) 0.45078(11) 0.0209(3) Uani 1 1 d . . .
C1 C 0.10662(18) -0.07004(8) 0.34795(17) 0.0337(5) Uani 1 1 d . . .
H1 H 0.0581 -0.0727 0.3892 0.040 Uiso 1 1 calc R . .
C2 C 0.20780(18) -0.08614(8) 0.38621(16) 0.0313(5) Uani 1 1 d . . .
H2 H 0.2186 -0.0982 0.4498 0.038 Uiso 1 1 calc R . .
C3 C 0.27824(19) -0.11196(8) 0.33351(18) 0.0357(5) Uani 1 1 d . . .
H3A H 0.2344 -0.1306 0.2819 0.043 Uiso 1 1 calc R . .
H3B H 0.3234 -0.1372 0.3727 0.043 Uiso 1 1 calc R . .
C4 C 0.34690(18) -0.07360(9) 0.29881(16) 0.0330(5) Uani 1 1 d . . .
H4A H 0.4136 -0.0696 0.3445 0.040 Uiso 1 1 calc R . .
H4B H 0.3635 -0.0874 0.2435 0.040 Uiso 1 1 calc R . .
C5 C 0.29661(17) -0.02176(8) 0.27815(14) 0.0272(4) Uani 1 1 d . . .
H5 H 0.3468 0.0059 0.2717 0.033 Uiso 1 1 calc R . .
C6 C 0.19431(19) -0.01285(8) 0.23040(14) 0.0302(4) Uani 1 1 d . . .
H6 H 0.1843 0.0201 0.1963 0.036 Uiso 1 1 calc R . .
C7 C 0.1208(2) -0.05508(10) 0.18738(17) 0.0412(6) Uani 1 1 d . . .
H7A H 0.1621 -0.0844 0.1737 0.049 Uiso 1 1 calc R . .
H7B H 0.0760 -0.0427 0.1300 0.049 Uiso 1 1 calc R . .
C8 C 0.0519(2) -0.07268(11) 0.24903(19) 0.0453(7) Uani 1 1 d . . .
H8A H -0.0117 -0.0511 0.2382 0.054 Uiso 1 1 calc R . .
H8B H 0.0295 -0.1083 0.2336 0.054 Uiso 1 1 calc R . .
C9 C 0.12939(17) -0.01589(8) 0.55393(16) 0.0299(4) Uani 1 1 d . . .
H9 H 0.0777 -0.0412 0.5329 0.036 Uiso 1 1 calc R . .
C10 C 0.1536(2) 0.00387(9) 0.64103(17) 0.0361(5) Uani 1 1 d . . .
H10 H 0.1230 -0.0052 0.6893 0.043 Uiso 1 1 calc R . .
C11 C 0.23082(18) 0.03913(8) 0.64241(14) 0.0294(4) Uani 1 1 d . . .
H11 H 0.2644 0.0595 0.6923 0.035 Uiso 1 1 calc R . .
C12 C 0.21146(17) 0.11085(8) 0.31311(15) 0.0284(4) Uani 1 1 d . . .
H12 H 0.1764 0.1059 0.2519 0.034 Uiso 1 1 calc R . .
C13 C 0.23913(19) 0.15841(8) 0.35283(17) 0.0372(5) Uani 1 1 d . . .
H13 H 0.2269 0.1910 0.3248 0.045 Uiso 1 1 calc R . .
C14 C 0.28742(17) 0.14837(8) 0.44020(16) 0.0295(4) Uani 1 1 d . . .
H14 H 0.3160 0.1728 0.4852 0.035 Uiso 1 1 calc R . .
C15 C 0.33287(15) 0.06652(7) 0.52969(13) 0.0212(4) Uani 1 1 d . . .
H15 H 0.3667 0.0905 0.5789 0.025 Uiso 1 1 calc R . .
C16 C 0.41760(14) 0.03074(7) 0.51212(12) 0.0185(3) Uani 1 1 d . . .
C17 C 0.48472(15) 0.04781(7) 0.46028(13) 0.0221(4) Uani 1 1 d . . .
H17 H 0.4746 0.0807 0.4332 0.027 Uiso 1 1 calc R . .
C18 C 0.56639(15) 0.01721(7) 0.44788(13) 0.0213(4) Uani 1 1 d . . .
H18 H 0.6115 0.0291 0.4119 0.026 Uiso 1 1 calc R . .
F1 F 0.48495(15) 0.14211(9) 1.30638(14) 0.0749(6) Uani 1 1 d . . .
F2 F 0.61410(17) 0.17115(7) 1.40317(11) 0.0624(5) Uani 1 1 d . . .
F3 F 0.63568(15) 0.10761(6) 1.32328(11) 0.0541(4) Uani 1 1 d . . .
F4 F 0.64004(16) 0.35186(6) 1.2161(2) 0.0884(8) Uani 1 1 d . . .
F5 F 0.7734(2) 0.32234(9) 1.30774(14) 0.0946(9) Uani 1 1 d . . .
F6 F 0.77671(13) 0.33343(6) 1.17244(12) 0.0519(4) Uani 1 1 d . . .
F7 F 0.15263(15) 0.08913(14) 0.93162(19) 0.0765(7) Uani 0.85 1 d P A 1
F8 F 0.2293(3) 0.07115(19) 1.0641(3) 0.1210(16) Uani 0.85 1 d P A 1
F9 F 0.2145(2) 0.14725(12) 1.0208(3) 0.0969(12) Uani 0.85 1 d P A 1
F7A F 0.2512(10) 0.1089(9) 1.0789(8) 0.0765(7) Uani 0.15 1 d PD A 2
F8A F 0.1857(15) 0.1380(9) 0.9646(17) 0.1210(16) Uani 0.15 1 d PD A 2
F9A F 0.1787(13) 0.0615(6) 0.985(2) 0.0969(12) Uani 0.15 1 d PD A 2
F10 F 0.45647(13) 0.01420(6) 0.75831(9) 0.0431(3) Uani 1 1 d . . .
F11 F 0.40430(18) -0.03659(6) 0.84830(14) 0.0714(6) Uani 1 1 d . . .
F12 F 0.56596(14) -0.01556(6) 0.87102(11) 0.0501(4) Uani 1 1 d . . .
F13 F 0.49015(13) 0.17322(6) 0.64176(9) 0.0449(4) Uani 1 1 d . . .
F14 F 0.57526(15) 0.24085(9) 0.62740(12) 0.0692(6) Uani 1 1 d . . .
F15 F 0.40693(13) 0.24210(6) 0.59528(9) 0.0471(4) Uani 1 1 d . . .
F16 F 0.36085(19) 0.34931(8) 0.93205(15) 0.0790(7) Uani 1 1 d . . .
F17 F 0.49811(18) 0.38187(8) 0.9103(2) 0.1124(11) Uani 1 1 d . . .
F18 F 0.3625(2) 0.37496(8) 0.80332(15) 0.0902(8) Uani 1 1 d . . .
F19 F 0.9603(3) 0.03314(10) 1.05621(16) 0.0953(11) Uani 0.89 1 d P B 1
F20 F 0.99492(19) 0.08260(9) 1.16835(18) 0.0734(7) Uani 0.89 1 d P B 1
F21 F 0.85523(13) 0.04085(8) 1.14177(15) 0.0506(5) Uani 0.89 1 d P B 1
F19A F 0.905(3) 0.0664(9) 1.1766(10) 0.0953(11) Uani 0.11 1 d PD B 2
F20A F 0.8787(16) 0.0259(5) 1.0695(14) 0.0734(7) Uani 0.11 1 d PD B 2
F21A F 1.0120(8) 0.0637(7) 1.1099(15) 0.0506(5) Uani 0.11 1 d PD B 2
C50 C 0.93034(19) 0.20879(12) 0.8845(2) 0.0295(6) Uani 0.63 1 d PD C 1
F22 F 1.0251(3) 0.19216(14) 0.8851(3) 0.0711(12) Uani 0.63 1 d PD C 1
F23 F 0.9404(7) 0.25671(14) 0.9117(6) 0.0575(18) Uani 0.63 1 d PD C 1
F24 F 0.8814(3) 0.21263(18) 0.7990(2) 0.0719(12) Uani 0.63 1 d PD C 1
C50A C 0.9440(3) 0.2109(2) 0.8997(3) 0.0295(6) Uani 0.37 1 d PD C 2
F22A F 0.9171(11) 0.2595(3) 0.8953(11) 0.053(3) Uani 0.37 1 d PDU C 2
F23A F 0.9371(6) 0.1938(2) 0.8174(4) 0.0608(17) Uani 0.37 1 d PDU C 2
F24A F 1.0439(3) 0.2099(2) 0.9411(4) 0.0570(15) Uani 0.37 1 d PDU C 2
B1 B 0.59121(16) 0.17737(8) 0.98790(14) 0.0182(4) Uani 1 1 d . . .
C19 C 0.60692(14) 0.19935(7) 1.09057(13) 0.0196(3) Uani 1 1 d . . .
C20 C 0.65267(15) 0.24724(7) 1.11566(13) 0.0217(4) Uani 1 1 d . . .
H20 H 0.6699 0.2683 1.0707 0.026 Uiso 1 1 calc R . .
C21 C 0.67363(16) 0.26493(8) 1.20362(14) 0.0256(4) Uani 1 1 d . . .
C22 C 0.65283(17) 0.23491(8) 1.27223(14) 0.0289(4) Uani 1 1 d . . .
H22 H 0.6677 0.2468 1.3326 0.035 Uiso 1 1 calc R . .
C23 C 0.60982(17) 0.18719(8) 1.24958(14) 0.0266(4) Uani 1 1 d . . .
C24 C 0.58670(16) 0.16981(7) 1.16104(13) 0.0233(4) Uani 1 1 d . . .
H24 H 0.5563 0.1369 1.1480 0.028 Uiso 1 1 calc R . .
C25 C 0.7147(2) 0.31787(9) 1.22439(17) 0.0375(5) Uani 1 1 d . . .
C26 C 0.5862(2) 0.15224(10) 1.32013(16) 0.0374(5) Uani 1 1 d . . .
C27 C 0.50911(14) 0.12929(7) 0.96865(13) 0.0191(3) Uani 1 1 d . . .
C28 C 0.41154(15) 0.13306(8) 0.99073(14) 0.0248(4) Uani 1 1 d . . .
H28 H 0.3967 0.1627 1.0212 0.030 Uiso 1 1 calc R . .
C29 C 0.33631(15) 0.09522(9) 0.96981(15) 0.0283(4) Uani 1 1 d . . .
C30 C 0.35383(16) 0.05180(8) 0.92330(15) 0.0285(4) Uani 1 1 d . . .
H30 H 0.3019 0.0260 0.9080 0.034 Uiso 1 1 calc R . .
C31 C 0.44886(16) 0.04700(7) 0.89970(13) 0.0240(4) Uani 1 1 d . . .
C32 C 0.52544(15) 0.08499(7) 0.92273(13) 0.0205(3) Uani 1 1 d . . .
H32 H 0.5904 0.0805 0.9067 0.025 Uiso 1 1 calc R . .
C33 C 0.23482(19) 0.09983(11) 0.9977(2) 0.0457(6) Uani 1 1 d . . .
C34 C 0.4685(2) 0.00222(8) 0.84586(15) 0.0318(5) Uani 1 1 d . . .
C35 C 0.54227(14) 0.21929(7) 0.90964(13) 0.0196(3) Uani 1 1 d . . .
C36 C 0.53675(15) 0.20672(7) 0.81927(13) 0.0224(4) Uani 1 1 d . . .
H36 H 0.5636 0.1747 0.8060 0.027 Uiso 1 1 calc R . .
C37 C 0.49364(16) 0.23924(8) 0.74875(13) 0.0248(4) Uani 1 1 d . . .
C38 C 0.45444(17) 0.28678(8) 0.76484(15) 0.0305(4) Uani 1 1 d . . .
H38 H 0.4260 0.3094 0.7168 0.037 Uiso 1 1 calc R . .
C39 C 0.45834(18) 0.29987(8) 0.85283(16) 0.0300(4) Uani 1 1 d . . .
C40 C 0.50016(16) 0.26660(8) 0.92379(14) 0.0248(4) Uani 1 1 d . . .
H40 H 0.4999 0.2766 0.9835 0.030 Uiso 1 1 calc R . .
C41 C 0.49183(19) 0.22420(10) 0.65422(15) 0.0347(5) Uani 1 1 d . . .
C42 C 0.4209(2) 0.35120(10) 0.8746(2) 0.0458(6) Uani 1 1 d . . .
C43 C 0.70990(14) 0.16104(7) 0.98282(12) 0.0182(3) Uani 1 1 d . . .
C44 C 0.76104(15) 0.12074(7) 1.03642(13) 0.0203(4) Uani 1 1 d . . .
H44 H 0.7229 0.1006 1.0694 0.024 Uiso 1 1 calc R . .
C45 C 0.86550(15) 0.10946(7) 1.04256(13) 0.0218(4) Uani 1 1 d . . .
C46 C 0.92488(15) 0.13803(7) 0.99630(14) 0.0246(4) Uani 1 1 d . . .
H46 H 0.9968 0.1307 1.0015 0.030 Uiso 1 1 calc R . .
C47 C 0.87597(15) 0.17755(7) 0.94248(14) 0.0238(4) Uani 1 1 d . . .
C48 C 0.77078(15) 0.18867(7) 0.93582(13) 0.0210(4) Uani 1 1 d . . .
H48 H 0.7394 0.2160 0.8980 0.025 Uiso 1 1 calc R . .
C49 C 0.91755(17) 0.06626(9) 1.10031(16) 0.0313(5) Uani 1 1 d . . .
Cl1 Cl 0.3094(5) 0.2070(3) 0.1748(4) 0.0735(12) Uani 0.15 1 d PD D 1
C51 C 0.356(2) 0.2614(9) 0.1323(13) 0.0735(12) Uani 0.15 1 d PD D 1
H51A H 0.3539 0.2910 0.1721 0.088 Uiso 0.15 1 calc PR D 1
H51B H 0.4296 0.2562 0.1283 0.088 Uiso 0.15 1 calc PR D 1
Cl2 Cl 0.2769(5) 0.2727(3) 0.0259(4) 0.0735(12) Uani 0.15 1 d PD D 1
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 N1 86.83(6) . .
N3 Rh1 C5 92.70(7) . .
N1 Rh1 C5 151.91(8) . .
N3 Rh1 C1 155.47(8) . .
N1 Rh1 C1 93.99(8) . .
C5 Rh1 C1 97.78(9) . .
N3 Rh1 C2 166.55(8) . .
N1 Rh1 C2 91.82(8) . .
C5 Rh1 C2 82.21(8) . .
C1 Rh1 C2 37.97(9) . .
N3 Rh1 C6 93.54(7) . .
N1 Rh1 C6 170.01(8) . .
C5 Rh1 C6 38.07(9) . .
C1 Rh1 C6 81.54(9) . .
C2 Rh1 C6 90.09(9) . .
C9 N1 N2 105.35(17) . .
C9 N1 Rh1 134.79(15) . .
N2 N1 Rh1 119.81(12) . .
C11 N2 N1 110.99(17) . .
C11 N2 C15 128.14(18) . .
N1 N2 C15 120.44(15) . .
C12 N3 N4 104.98(16) . .
C12 N3 Rh1 133.64(14) . .
N4 N3 Rh1 120.21(12) . .
C14 N4 N3 111.29(16) . .
C14 N4 C15 129.28(17) . .
N3 N4 C15 119.33(15) . .
C2 C1 C8 126.2(2) . .
C2 C1 Rh1 71.56(12) . .
C8 C1 Rh1 109.66(17) . .
C2 C1 H1 113.8 . .
C8 C1 H1 113.8 . .
Rh1 C1 H1 113.8 . .
C1 C2 C3 123.7(2) . .
C1 C2 Rh1 70.47(12) . .
C3 C2 Rh1 112.55(15) . .
C1 C2 H2 114.2 . .
C3 C2 H2 114.2 . .
Rh1 C2 H2 114.2 . .
C2 C3 C4 112.04(18) . .
C2 C3 H3A 109.2 . .
C4 C3 H3A 109.2 . .
C2 C3 H3B 109.2 . .
C4 C3 H3B 109.2 . .
H3A C3 H3B 107.9 . .
C5 C4 C3 113.47(18) . .
C5 C4 H4A 108.9 . .
C3 C4 H4A 108.9 . .
C5 C4 H4B 108.9 . .
C3 C4 H4B 108.9 . .
H4A C4 H4B 107.7 . .
C6 C5 C4 125.6(2) . .
C6 C5 Rh1 71.93(13) . .
C4 C5 Rh1 109.60(14) . .
C6 C5 H5 113.9 . .
C4 C5 H5 113.9 . .
Rh1 C5 H5 113.9 . .
C5 C6 C7 123.1(2) . .
C5 C6 Rh1 70.00(12) . .
C7 C6 Rh1 113.30(17) . .
C5 C6 H6 114.3 . .
C7 C6 H6 114.3 . .
Rh1 C6 H6 114.3 . .
C6 C7 C8 111.33(19) . .
C6 C7 H7A 109.4 . .
C8 C7 H7A 109.4 . .
C6 C7 H7B 109.4 . .
C8 C7 H7B 109.4 . .
H7A C7 H7B 108.0 . .
C1 C8 C7 113.1(2) . .
C1 C8 H8A 109.0 . .
C7 C8 H8A 109.0 . .
C1 C8 H8B 109.0 . .
C7 C8 H8B 109.0 . .
H8A C8 H8B 107.8 . .
N1 C9 C10 111.0(2) . .
N1 C9 H9 124.5 . .
C10 C9 H9 124.5 . .
C11 C10 C9 105.50(19) . .
C11 C10 H10 127.3 . .
C9 C10 H10 127.3 . .
N2 C11 C10 107.2(2) . .
N2 C11 H11 126.4 . .
C10 C11 H11 126.4 . .
N3 C12 C13 111.02(19) . .
N3 C12 H12 124.5 . .
C13 C12 H12 124.5 . .
C14 C13 C12 105.57(19) . .
C14 C13 H13 127.2 . .
C12 C13 H13 127.2 . .
N4 C14 C13 107.15(19) . .
N4 C14 H14 126.4 . .
C13 C14 H14 126.4 . .
N2 C15 N4 109.34(15) . .
N2 C15 C16 112.80(15) . .
N4 C15 C16 111.61(15) . .
N2 C15 H15 107.6 . .
N4 C15 H15 107.6 . .
C16 C15 H15 107.6 . .
C18 C16 C17 119.33(17) 3_656 .
C18 C16 C15 121.16(16) 3_656 .
C17 C16 C15 119.35(16) . .
C18 C17 C16 120.48(17) . .
C18 C17 H17 119.8 . .
C16 C17 H17 119.8 . .
C17 C18 C16 120.19(17) . 3_656
C17 C18 H18 119.9 . .
C16 C18 H18 119.9 3_656 .
F22 C50 F23 106.7(4) . .
F22 C50 F24 105.8(3) . .
F23 C50 F24 103.3(5) . .
F22 C50 C47 113.3(2) . .
F23 C50 C47 110.9(5) . .
F24 C50 C47 115.9(2) . .
F24A C50A F23A 106.8(6) . .
F24A C50A F22A 105.5(7) . .
F23A C50A F22A 108.7(8) . .
F24A C50A C47 114.1(4) . .
F23A C50A C47 107.7(4) . .
F22A C50A C47 113.7(8) . .
C43 B1 C19 103.30(14) . .
C43 B1 C27 112.70(15) . .
C19 B1 C27 111.78(15) . .
C43 B1 C35 110.80(15) . .
C19 B1 C35 113.81(15) . .
C27 B1 C35 104.70(15) . .
C24 C19 C20 115.40(18) . .
C24 C19 B1 122.60(17) . .
C20 C19 B1 121.64(16) . .
C21 C20 C19 122.51(18) . .
C21 C20 H20 118.7 . .
C19 C20 H20 118.7 . .
C20 C21 C22 120.94(19) . .
C20 C21 C25 119.68(19) . .
C22 C21 C25 119.33(19) . .
C23 C22 C21 117.66(19) . .
C23 C22 H22 121.2 . .
C21 C22 H22 121.2 . .
C22 C23 C24 121.47(19) . .
C22 C23 C26 120.8(2) . .
C24 C23 C26 117.7(2) . .
C23 C24 C19 121.99(19) . .
C23 C24 H24 119.0 . .
C19 C24 H24 119.0 . .
F4 C25 F6 106.6(2) . .
F4 C25 F5 106.6(2) . .
F6 C25 F5 104.2(2) . .
F4 C25 C21 112.6(2) . .
F6 C25 C21 113.52(19) . .
F5 C25 C21 112.6(2) . .
F1 C26 F2 105.5(2) . .
F1 C26 F3 107.1(2) . .
F2 C26 F3 105.6(2) . .
F1 C26 C23 112.2(2) . .
F2 C26 C23 113.7(2) . .
F3 C26 C23 112.25(19) . .
C32 C27 C28 115.83(17) . .
C32 C27 B1 123.68(16) . .
C28 C27 B1 120.20(17) . .
C29 C28 C27 122.56(19) . .
C29 C28 H28 118.7 . .
C27 C28 H28 118.7 . .
C28 C29 C30 120.59(19) . .
C28 C29 C33 120.9(2) . .
C30 C29 C33 118.5(2) . .
C31 C30 C29 118.43(19) . .
C31 C30 H30 120.8 . .
C29 C30 H30 120.8 . .
C30 C31 C32 120.63(19) . .
C30 C31 C34 119.98(19) . .
C32 C31 C34 119.33(19) . .
C27 C32 C31 121.95(18) . .
C27 C32 H32 119.0 . .
C31 C32 H32 119.0 . .
F8A C33 F9A 111.0(16) . .
F8A C33 F7A 102.0(15) . .
F9A C33 F7A 105.8(15) . .
F8 C33 F7 107.0(3) . .
F8 C33 F9 106.5(4) . .
F7 C33 F9 102.7(3) . .
F8A C33 C29 111.3(7) . .
F9A C33 C29 115.5(7) . .
F7A C33 C29 110.2(6) . .
F8 C33 C29 113.6(2) . .
F7 C33 C29 112.8(3) . .
F9 C33 C29 113.4(2) . .
F11 C34 F12 107.4(2) . .
F11 C34 F10 106.19(19) . .
F12 C34 F10 104.4(2) . .
F11 C34 C31 113.1(2) . .
F12 C34 C31 113.29(18) . .
F10 C34 C31 111.77(18) . .
C40 C35 C36 115.46(17) . .
C40 C35 B1 125.68(17) . .
C36 C35 B1 118.79(16) . .
C37 C36 C35 122.56(18) . .
C37 C36 H36 118.7 . .
C35 C36 H36 118.7 . .
C36 C37 C38 120.83(19) . .
C36 C37 C41 120.12(19) . .
C38 C37 C41 119.02(19) . .
C39 C38 C37 117.72(19) . .
C39 C38 H38 121.1 . .
C37 C38 H38 121.1 . .
C38 C39 C40 121.34(19) . .
C38 C39 C42 120.1(2) . .
C40 C39 C42 118.5(2) . .
C35 C40 C39 122.05(19) . .
C35 C40 H40 119.0 . .
C39 C40 H40 119.0 . .
F14 C41 F15 107.1(2) . .
F14 C41 F13 105.5(2) . .
F15 C41 F13 105.49(19) . .
F14 C41 C37 112.6(2) . .
F15 C41 C37 112.3(2) . .
F13 C41 C37 113.21(19) . .
F17 C42 F16 105.8(3) . .
F17 C42 F18 107.3(3) . .
F16 C42 F18 104.1(2) . .
F17 C42 C39 112.4(2) . .
F16 C42 C39 113.3(2) . .
F18 C42 C39 113.3(2) . .
C48 C43 C44 115.78(17) . .
C48 C43 B1 123.86(16) . .
C44 C43 B1 119.92(16) . .
C45 C44 C43 121.99(18) . .
C45 C44 H44 119.0 . .
C43 C44 H44 119.0 . .
C44 C45 C46 121.17(18) . .
C44 C45 C49 120.59(18) . .
C46 C45 C49 118.24(18) . .
C47 C46 C45 117.87(18) . .
C47 C46 H46 121.1 . .
C45 C46 H46 121.1 . .
C46 C47 C48 120.96(18) . .
C46 C47 C50A 116.8(3) . .
C48 C47 C50A 121.9(3) . .
C46 C47 C50 122.58(19) . .
C48 C47 C50 116.38(19) . .
C47 C48 C43 122.23(18) . .
C47 C48 H48 118.9 . .
C43 C48 H48 118.9 . .
F19A C49 F21A 104.7(17) . .
F19A C49 F20A 103.5(19) . .
F21A C49 F20A 108.7(14) . .
F19A C49 F19 132.2(8) . .
F21A C49 F19 58.3(11) . .
F20A C49 F19 54.3(12) . .
F19A C49 F21 45.7(17) . .
F21A C49 F21 129.9(7) . .
F20A C49 F21 60.1(13) . .
F19 C49 F21 107.7(2) . .
F19A C49 F20 60.6(17) . .
F21A C49 F20 50.1(11) . .
F20A C49 F20 138.4(7) . .
F19 C49 F20 105.8(2) . .
F21 C49 F20 103.3(2) . .
F19A C49 C45 114.5(8) . .
F21A C49 C45 115.2(7) . .
F20A C49 C45 109.5(7) . .
F19 C49 C45 112.9(2) . .
F21 C49 C45 114.36(18) . .
F20 C49 C45 112.0(2) . .
Cl2 C51 Cl1 107.5(16) . .
Cl2 C51 H51A 110.2 . .
Cl1 C51 H51A 110.2 . .
Cl2 C51 H51B 110.2 . .
Cl1 C51 H51B 110.2 . .
H51A C51 H51B 108.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Rh1 N3 2.0951(16) .
Rh1 N1 2.1022(17) .
Rh1 C5 2.120(2) .
Rh1 C1 2.125(2) .
Rh1 C2 2.139(2) .
Rh1 C6 2.145(2) .
N1 C9 1.332(3) .
N1 N2 1.361(2) .
N2 C11 1.354(3) .
N2 C15 1.452(3) .
N3 C12 1.332(3) .
N3 N4 1.362(2) .
N4 C14 1.352(2) .
N4 C15 1.455(2) .
C1 C2 1.387(3) .
C1 C8 1.516(4) .
C1 H1 1.0000 .
C2 C3 1.521(3) .
C2 H2 1.0000 .
C3 C4 1.526(3) .
C3 H3A 0.9900 .
C3 H3B 0.9900 .
C4 C5 1.510(3) .
C4 H4A 0.9900 .
C4 H4B 0.9900 .
C5 C6 1.391(3) .
C5 H5 1.0000 .
C6 C7 1.513(3) .
C6 H6 1.0000 .
C7 C8 1.524(4) .
C7 H7A 0.9900 .
C7 H7B 0.9900 .
C8 H8A 0.9900 .
C8 H8B 0.9900 .
C9 C10 1.394(3) .
C9 H9 0.9500 .
C10 C11 1.368(3) .
C10 H10 0.9500 .
C11 H11 0.9500 .
C12 C13 1.395(3) .
C12 H12 0.9500 .
C13 C14 1.363(3) .
C13 H13 0.9500 .
C14 H14 0.9500 .
C15 C16 1.527(3) .
C15 H15 1.0000 .
C16 C18 1.390(3) 3_656
C16 C17 1.391(3) .
C17 C18 1.388(3) .
C17 H17 0.9500 .
C18 C16 1.390(3) 3_656
C18 H18 0.9500 .
F1 C26 1.325(3) .
F2 C26 1.332(3) .
F3 C26 1.332(3) .
F4 C25 1.309(3) .
F5 C25 1.331(3) .
F6 C25 1.329(3) .
F7 C33 1.324(4) .
F8 C33 1.278(4) .
F9 C33 1.334(4) .
F7A C33 1.232(11) .
F8A C33 1.232(11) .
F9A C33 1.232(11) .
F10 C34 1.348(3) .
F11 C34 1.327(3) .
F12 C34 1.332(3) .
F13 C41 1.347(3) .
F14 C41 1.331(3) .
F15 C41 1.344(3) .
F16 C42 1.314(4) .
F17 C42 1.309(4) .
F18 C42 1.331(3) .
F19 C49 1.304(3) .
F20 C49 1.343(3) .
F21 C49 1.326(3) .
F19A C49 1.218(10) .
F20A C49 1.218(10) .
F21A C49 1.218(10) .
C50 F22 1.3182(17) .
C50 F23 1.3184(17) .
C50 F24 1.3186(17) .
C50 C47 1.505(3) .
C50A F24A 1.3180(17) .
C50A F23A 1.3181(17) .
C50A F22A 1.3181(17) .
C50A C47 1.504(3) .
B1 C43 1.637(3) .
B1 C19 1.639(3) .
B1 C27 1.639(3) .
B1 C35 1.640(3) .
C19 C24 1.401(3) .
C19 C20 1.404(3) .
C20 C21 1.388(3) .
C20 H20 0.9500 .
C21 C22 1.388(3) .
C21 C25 1.494(3) .
C22 C23 1.381(3) .
C22 H22 0.9500 .
C23 C24 1.393(3) .
C23 C26 1.501(3) .
C24 H24 0.9500 .
C27 C32 1.398(3) .
C27 C28 1.405(3) .
C28 C29 1.383(3) .
C28 H28 0.9500 .
C29 C30 1.388(3) .
C29 C33 1.498(3) .
C30 C31 1.385(3) .
C30 H30 0.9500 .
C31 C32 1.400(3) .
C31 C34 1.489(3) .
C32 H32 0.9500 .
C35 C40 1.394(3) .
C35 C36 1.406(3) .
C36 C37 1.386(3) .
C36 H36 0.9500 .
C37 C38 1.391(3) .
C37 C41 1.493(3) .
C38 C39 1.378(3) .
C38 H38 0.9500 .
C39 C40 1.399(3) .
C39 C42 1.495(3) .
C40 H40 0.9500 .
C43 C48 1.397(3) .
C43 C44 1.406(2) .
C44 C45 1.386(3) .
C44 H44 0.9500 .
C45 C46 1.389(3) .
C45 C49 1.498(3) .
C46 C47 1.383(3) .
C46 H46 0.9500 .
C47 C48 1.394(3) .
C48 H48 0.9500 .
Cl1 C51 1.738(18) .
C51 Cl2 1.738(18) .
C51 H51A 0.9900 .
C51 H51B 0.9900 .
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
N3 Rh1 N1 C9 148.5(2) . .
C5 Rh1 N1 C9 -121.7(2) . .
C1 Rh1 N1 C9 -6.9(2) . .
C2 Rh1 N1 C9 -44.8(2) . .
N3 Rh1 N1 N2 -34.42(14) . .
C5 Rh1 N1 N2 55.4(2) . .
C1 Rh1 N1 N2 170.14(15) . .
C2 Rh1 N1 N2 132.18(15) . .
C9 N1 N2 C11 0.6(2) . .
Rh1 N1 N2 C11 -177.24(13) . .
C9 N1 N2 C15 173.69(17) . .
Rh1 N1 N2 C15 -4.1(2) . .
N1 Rh1 N3 C12 -135.9(2) . .
C5 Rh1 N3 C12 72.3(2) . .
C1 Rh1 N3 C12 -43.2(3) . .
C2 Rh1 N3 C12 139.6(3) . .
C6 Rh1 N3 C12 34.1(2) . .
N1 Rh1 N3 N4 29.69(14) . .
C5 Rh1 N3 N4 -122.19(15) . .
C1 Rh1 N3 N4 122.3(2) . .
C2 Rh1 N3 N4 -54.9(4) . .
C6 Rh1 N3 N4 -160.31(15) . .
C12 N3 N4 C14 -0.5(2) . .
Rh1 N3 N4 C14 -169.71(14) . .
C12 N3 N4 C15 -177.21(17) . .
Rh1 N3 N4 C15 13.6(2) . .
N3 Rh1 C1 C2 -178.95(16) . .
N1 Rh1 C1 C2 -87.85(14) . .
C5 Rh1 C1 C2 66.59(15) . .
C6 Rh1 C1 C2 101.14(15) . .
N3 Rh1 C1 C8 58.3(3) . .
N1 Rh1 C1 C8 149.36(16) . .
C5 Rh1 C1 C8 -56.20(17) . .
C2 Rh1 C1 C8 -122.8(2) . .
C6 Rh1 C1 C8 -21.65(16) . .
C8 C1 C2 C3 -3.4(4) . .
Rh1 C1 C2 C3 -104.6(2) . .
C8 C1 C2 Rh1 101.3(2) . .
N3 Rh1 C2 C1 178.1(3) . .
N1 Rh1 C2 C1 94.15(15) . .
C5 Rh1 C2 C1 -113.41(15) . .
C6 Rh1 C2 C1 -76.05(15) . .
N3 Rh1 C2 C3 -62.6(4) . .
N1 Rh1 C2 C3 -146.53(17) . .
C5 Rh1 C2 C3 5.90(17) . .
C1 Rh1 C2 C3 119.3(2) . .
C6 Rh1 C2 C3 43.27(18) . .
C1 C2 C3 C4 92.4(3) . .
Rh1 C2 C3 C4 11.5(3) . .
C2 C3 C4 C5 -31.0(3) . .
C3 C4 C5 C6 -46.1(3) . .
C3 C4 C5 Rh1 35.3(2) . .
N3 Rh1 C5 C6 -92.30(13) . .
N1 Rh1 C5 C6 179.38(14) . .
C1 Rh1 C5 C6 65.47(14) . .
C2 Rh1 C5 C6 100.21(14) . .
N3 Rh1 C5 C4 145.42(15) . .
N1 Rh1 C5 C4 57.1(2) . .
C1 Rh1 C5 C4 -56.81(17) . .
C2 Rh1 C5 C4 -22.07(16) . .
C6 Rh1 C5 C4 -122.3(2) . .
C4 C5 C6 C7 -3.8(4) . .
Rh1 C5 C6 C7 -105.4(2) . .
C4 C5 C6 Rh1 101.6(2) . .
N3 Rh1 C6 C5 89.86(13) . .
C1 Rh1 C6 C5 -114.31(14) . .
C2 Rh1 C6 C5 -77.19(14) . .
N3 Rh1 C6 C7 -151.74(16) . .
C5 Rh1 C6 C7 118.4(2) . .
C1 Rh1 C6 C7 4.08(17) . .
C2 Rh1 C6 C7 41.21(17) . .
C5 C6 C7 C8 95.0(3) . .
Rh1 C6 C7 C8 14.4(3) . .
C2 C1 C8 C7 -44.6(3) . .
Rh1 C1 C8 C7 36.5(2) . .
C6 C7 C8 C1 -33.5(3) . .
N2 N1 C9 C10 -0.6(2) . .
Rh1 N1 C9 C10 176.74(15) . .
N1 C9 C10 C11 0.4(3) . .
N1 N2 C11 C10 -0.3(2) . .
C15 N2 C11 C10 -172.79(19) . .
C9 C10 C11 N2 0.0(2) . .
N4 N3 C12 C13 0.2(2) . .
Rh1 N3 C12 C13 167.32(17) . .
N3 C12 C13 C14 0.1(3) . .
N3 N4 C14 C13 0.6(3) . .
C15 N4 C14 C13 176.9(2) . .
C12 C13 C14 N4 -0.4(3) . .
C11 N2 C15 N4 -127.0(2) . .
N1 N2 C15 N4 61.2(2) . .
C11 N2 C15 C16 108.2(2) . .
N1 N2 C15 C16 -63.6(2) . .
C14 N4 C15 N2 117.1(2) . .
N3 N4 C15 N2 -66.9(2) . .
C14 N4 C15 C16 -117.4(2) . .
N3 N4 C15 C16 58.6(2) . .
N2 C15 C16 C18 -22.6(2) . 3_656
N4 C15 C16 C18 -146.21(17) . 3_656
N2 C15 C16 C17 161.94(17) . .
N4 C15 C16 C17 38.4(2) . .
C18 C16 C17 C18 0.5(3) 3_656 .
C15 C16 C17 C18 176.05(17) . .
C16 C17 C18 C16 -0.5(3) . 3_656
C43 B1 C19 C24 -98.7(2) . .
C27 B1 C19 C24 22.8(2) . .
C35 B1 C19 C24 141.13(18) . .
C43 B1 C19 C20 74.1(2) . .
C27 B1 C19 C20 -164.44(16) . .
C35 B1 C19 C20 -46.1(2) . .
C24 C19 C20 C21 -1.9(3) . .
B1 C19 C20 C21 -175.17(18) . .
C19 C20 C21 C22 2.0(3) . .
C19 C20 C21 C25 -175.3(2) . .
C20 C21 C22 C23 -0.6(3) . .
C25 C21 C22 C23 176.7(2) . .
C21 C22 C23 C24 -0.8(3) . .
C21 C22 C23 C26 179.3(2) . .
C22 C23 C24 C19 0.8(3) . .
C26 C23 C24 C19 -179.27(19) . .
C20 C19 C24 C23 0.5(3) . .
B1 C19 C24 C23 173.72(18) . .
C20 C21 C25 F4 87.8(3) . .
C22 C21 C25 F4 -89.5(3) . .
C20 C21 C25 F6 -33.4(3) . .
C22 C21 C25 F6 149.3(2) . .
C20 C21 C25 F5 -151.6(2) . .
C22 C21 C25 F5 31.1(3) . .
C22 C23 C26 F1 117.3(3) . .
C24 C23 C26 F1 -62.6(3) . .
C22 C23 C26 F2 -2.3(3) . .
C24 C23 C26 F2 177.8(2) . .
C22 C23 C26 F3 -122.1(2) . .
C24 C23 C26 F3 58.0(3) . .
C43 B1 C27 C32 -21.4(2) . .
C19 B1 C27 C32 -137.19(18) . .
C35 B1 C27 C32 99.2(2) . .
C43 B1 C27 C28 164.98(17) . .
C19 B1 C27 C28 49.2(2) . .
C35 B1 C27 C28 -74.5(2) . .
C32 C27 C28 C29 0.9(3) . .
B1 C27 C28 C29 175.02(18) . .
C27 C28 C29 C30 -1.6(3) . .
C27 C28 C29 C33 177.6(2) . .
C28 C29 C30 C31 1.0(3) . .
C33 C29 C30 C31 -178.3(2) . .
C29 C30 C31 C32 0.3(3) . .
C29 C30 C31 C34 -176.98(19) . .
C28 C27 C32 C31 0.5(3) . .
B1 C27 C32 C31 -173.45(17) . .
C30 C31 C32 C27 -1.1(3) . .
C34 C31 C32 C27 176.26(18) . .
C28 C29 C33 F8A 60.4(17) . .
C30 C29 C33 F8A -120.4(16) . .
C28 C29 C33 F9A -171.9(17) . .
C30 C29 C33 F9A 7.4(17) . .
C28 C29 C33 F7A -52.1(12) . .
C30 C29 C33 F7A 127.2(12) . .
C28 C29 C33 F8 -104.9(4) . .
C30 C29 C33 F8 74.3(4) . .
C28 C29 C33 F7 133.0(3) . .
C30 C29 C33 F7 -47.7(3) . .
C28 C29 C33 F9 16.8(4) . .
C30 C29 C33 F9 -163.9(3) . .
C30 C31 C34 F11 -19.1(3) . .
C32 C31 C34 F11 163.6(2) . .
C30 C31 C34 F12 -141.7(2) . .
C32 C31 C34 F12 41.0(3) . .
C30 C31 C34 F10 100.7(2) . .
C32 C31 C34 F10 -76.6(3) . .
C43 B1 C35 C40 -126.33(19) . .
C19 B1 C35 C40 -10.4(3) . .
C27 B1 C35 C40 111.9(2) . .
C43 B1 C35 C36 56.8(2) . .
C19 B1 C35 C36 172.65(16) . .
C27 B1 C35 C36 -65.0(2) . .
C40 C35 C36 C37 0.8(3) . .
B1 C35 C36 C37 177.99(18) . .
C35 C36 C37 C38 0.8(3) . .
C35 C36 C37 C41 178.82(19) . .
C36 C37 C38 C39 -1.1(3) . .
C41 C37 C38 C39 -179.2(2) . .
C37 C38 C39 C40 0.0(3) . .
C37 C38 C39 C42 177.8(2) . .
C36 C35 C40 C39 -1.9(3) . .
B1 C35 C40 C39 -178.95(19) . .
C38 C39 C40 C35 1.7(3) . .
C42 C39 C40 C35 -176.2(2) . .
C36 C37 C41 F14 -92.3(3) . .
C38 C37 C41 F14 85.8(3) . .
C36 C37 C41 F15 146.7(2) . .
C38 C37 C41 F15 -35.2(3) . .
C36 C37 C41 F13 27.4(3) . .
C38 C37 C41 F13 -154.5(2) . .
C38 C39 C42 F17 -105.7(3) . .
C40 C39 C42 F17 72.1(3) . .
C38 C39 C42 F16 134.4(3) . .
C40 C39 C42 F16 -47.8(3) . .
C38 C39 C42 F18 16.1(4) . .
C40 C39 C42 F18 -166.0(2) . .
C19 B1 C43 C48 -106.13(19) . .
C27 B1 C43 C48 133.06(18) . .
C35 B1 C43 C48 16.1(2) . .
C19 B1 C43 C44 65.9(2) . .
C27 B1 C43 C44 -55.0(2) . .
C35 B1 C43 C44 -171.90(16) . .
C48 C43 C44 C45 0.4(3) . .
B1 C43 C44 C45 -172.18(17) . .
C43 C44 C45 C46 0.6(3) . .
C43 C44 C45 C49 179.99(18) . .
C44 C45 C46 C47 -1.2(3) . .
C49 C45 C46 C47 179.41(19) . .
C45 C46 C47 C48 0.7(3) . .
C45 C46 C47 C50A 174.7(3) . .
C45 C46 C47 C50 -175.8(2) . .
F24A C50A C47 C46 -22.0(6) . .
F23A C50A C47 C46 96.4(5) . .
F22A C50A C47 C46 -143.0(7) . .
F24A C50A C47 C48 151.9(4) . .
F23A C50A C47 C48 -89.7(6) . .
F22A C50A C47 C48 30.8(8) . .
F24A C50A C47 C50 -149(2) . .
F23A C50A C47 C50 -30.6(16) . .
F22A C50A C47 C50 90(2) . .
F22 C50 C47 C46 4.9(4) . .
F23 C50 C47 C46 -115.0(4) . .
F24 C50 C47 C46 127.6(3) . .
F22 C50 C47 C48 -171.7(3) . .
F23 C50 C47 C48 68.3(4) . .
F24 C50 C47 C48 -49.1(4) . .
F22 C50 C47 C50A 62.7(17) . .
F23 C50 C47 C50A -57.3(19) . .
F24 C50 C47 C50A -175(2) . .
C46 C47 C48 C43 0.3(3) . .
C50A C47 C48 C43 -173.3(3) . .
C50 C47 C48 C43 177.1(2) . .
C44 C43 C48 C47 -0.9(3) . .
B1 C43 C48 C47 171.41(18) . .
C44 C45 C49 F19A -50(2) . .
C46 C45 C49 F19A 130(2) . .
C44 C45 C49 F21A -171.1(14) . .
C46 C45 C49 F21A 8.3(14) . .
C44 C45 C49 F20A 66.0(15) . .
C46 C45 C49 F20A -114.6(15) . .
C44 C45 C49 F19 124.5(3) . .
C46 C45 C49 F19 -56.1(3) . .
C44 C45 C49 F21 0.9(3) . .
C46 C45 C49 F21 -179.7(2) . .
C44 C45 C49 F20 -116.2(3) . .
C46 C45 C49 F20 63.2(3) . .
