#------------------------------------------------------------------------------
#$Date: 2016-03-23 02:57:22 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179221 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/45/4314506.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_4314506
loop_
_publ_author_name
'M. Rosaria Plutino'
'Lucia Fenech'
'Sergio Stoccoro'
'Silvia Rizzato'
'Carlo Castellano'
'Alberto Albinati'
_publ_contact_author_address
;      
 Dipartimento di Chimica Inorganica, Chimica Analitica e Chimica Fisica,
 Universita' di Messina,
 Salita Sperone 31, 98166 Vill. S. Agata,
 Messina
 Italy
;
_publ_contact_author_email       rosaria.plutino@ismn.cnr.it
_publ_contact_author_name        'M.R. Plutino'
_publ_section_title
;
 Dynamic NMR Study of Ethene Exchange in Cationic CNN-Type Platinum(II)
 Complexes#
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              407
_journal_page_last               418
_journal_paper_doi               10.1021/ic901078u
_journal_volume                  49
_journal_year                    2010
_chemical_formula_sum            'C51 H35 B F24 N2 Pt'
_chemical_formula_weight         1337.71
_chemical_name_common            '[Pt(2,2'-dipyridyl)(C2H4)](TFPB)'
_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
_cell_angle_alpha                94.136(2)
_cell_angle_beta                 94.205(2)
_cell_angle_gamma                100.035(2)
_cell_formula_units_Z            2
_cell_length_a                   12.5017(8)
_cell_length_b                   14.0249(10)
_cell_length_c                   15.2514(10)
_cell_measurement_reflns_used    1024
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      21.20
_cell_measurement_theta_min      2.41
_cell_volume                     2616.3(3)
_computing_cell_refinement       'SAINTPLUS  (Bruker AXS, 1999)'
_computing_data_collection       'SMART      (Bruker AXS, 2001)'
_computing_data_reduction        'SAINTPLUS  (Bruker AXS, 1999)'
_computing_molecular_graphics
'ORTEP for Windows v1.074 (L.J. Farrugia 1997)'
_computing_publication_material
'WinGX v1.64.05(L.J. Farrugia,J. Appl. Cryst.,1999,32, 837)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker SMART CCD'
_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  0.0533
_diffrn_reflns_av_sigmaI/netI    0.0892
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            27610
_diffrn_reflns_theta_full        27.53
_diffrn_reflns_theta_max         27.53
_diffrn_reflns_theta_min         2.41
_exptl_absorpt_coefficient_mu    2.805
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8297
_exptl_absorpt_correction_type   'empirical, multi scan'
_exptl_absorpt_process_details   'Sadabs 2.01 (Bruker AXS, 1999)'
_exptl_crystal_colour            'ligth yellow'
_exptl_crystal_density_diffrn    1.698
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             1308
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.3
_refine_diff_density_max         1.281
_refine_diff_density_min         -0.737
_refine_diff_density_rms         0.138
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     683
_refine_ls_number_reflns         12003
_refine_ls_number_restraints     119
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.1544
_refine_ls_R_factor_gt           0.0758
_refine_ls_shift/su_max          0.010
_refine_ls_shift/su_mean         0.008
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1414P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2025
_refine_ls_wR_factor_ref         0.2115
_reflns_number_gt                6025
_reflns_number_total             12003
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic901078u_si_002_2.cif
_cod_data_source_block           Rom15
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               4314506
#BEGIN Tags that were not found in dictionaries:
_compound_number                 5
#END Tags that were not found in dictionaries
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
Pt Pt 0.89583(3) 0.72222(3) 0.43078(3) 0.0769(2) Uani 1 1 d . . .
C1 C 0.9361(14) 0.8672(12) 0.4240(11) 0.130(5) Uani 1 1 d . . .
H11 H 0.9455 0.8994 0.4824 0.195 Uiso 1 1 calc R . .
H12 H 0.8791 0.8894 0.3900 0.195 Uiso 1 1 calc R . .
H13 H 1.0030 0.8815 0.3963 0.195 Uiso 1 1 calc R . .
C1L C 0.8915(17) 0.7025(15) 0.2931(9) 0.140(6) Uani 1 1 d . . .
H1L1 H 0.9321 0.7550 0.2644 0.168 Uiso 1 1 calc R . .
H1L2 H 0.8992 0.6386 0.2685 0.168 Uiso 1 1 calc R . .
C2L C 0.7917(13) 0.7128(13) 0.3126(10) 0.119(5) Uani 1 1 d . . .
H2L1 H 0.7350 0.6555 0.3014 0.143 Uiso 1 1 calc R . .
H2L2 H 0.7680 0.7722 0.2973 0.143 Uiso 1 1 calc R . .
N1 N 0.9521(7) 0.7276(8) 0.5628(6) 0.078(2) Uani 1 1 d . . .
N2 N 0.8551(7) 0.5739(8) 0.4532(6) 0.079(2) Uani 1 1 d . . .
C2 C 0.9974(9) 0.8037(10) 0.6162(8) 0.087(3) Uani 1 1 d U . .
H2 H 1.0066 0.8643 0.5939 0.105 Uiso 1 1 calc R . .
C3 C 1.0326(10) 0.7992(12) 0.7043(8) 0.098(3) Uani 1 1 d U . .
C4 C 1.0157(11) 0.7099(15) 0.7352(9) 0.118(5) Uani 1 1 d U . .
C4' C 0.9702(6) 0.6357(7) 0.6734(6) 0.053(2) Uani 1 1 d U . .
C5 C 0.9495(14) 0.5360(15) 0.7129(10) 0.124(5) Uani 1 1 d U . .
H5 H 0.9718 0.5300 0.7715 0.149 Uiso 1 1 calc R . .
C6 C 0.8975(13) 0.4576(13) 0.6589(12) 0.122(5) Uani 1 1 d U . .
H6 H 0.8847 0.3976 0.6821 0.146 Uiso 1 1 calc R . .
C6' C 0.8604(10) 0.4626(10) 0.5656(10) 0.095(3) Uani 1 1 d U . .
C7 C 0.8061(12) 0.3841(10) 0.5065(13) 0.107(5) Uani 1 1 d . . .
C8 C 0.7806(11) 0.4074(10) 0.4206(12) 0.104(4) Uani 1 1 d U . .
C9 C 0.8075(10) 0.4973(10) 0.3993(9) 0.092(3) Uani 1 1 d U . .
H9 H 0.7915 0.5082 0.3408 0.110 Uiso 1 1 calc R . .
C10 C 0.9370(8) 0.6381(9) 0.5957(8) 0.076(3) Uani 1 1 d U . .
C10' C 0.8843(9) 0.5565(9) 0.5373(7) 0.077(3) Uani 1 1 d . . .
C11 C 0.7223(13) 0.3287(12) 0.3521(12) 0.132(5) Uani 1 1 d U . .
H111 H 0.7086 0.2679 0.3782 0.198 Uiso 1 1 calc R . .
H112 H 0.7669 0.3230 0.3040 0.198 Uiso 1 1 calc R . .
H113 H 0.6543 0.3451 0.3305 0.198 Uiso 1 1 calc R . .
C12 C 1.0556(15) 0.7061(14) 0.8342(11) 0.141(6) Uani 1 1 d U . .
H121 H 1.0396 0.6403 0.8497 0.212 Uiso 1 1 calc R . .
H122 H 1.0189 0.7463 0.8708 0.212 Uiso 1 1 calc R . .
H123 H 1.1329 0.7293 0.8430 0.212 Uiso 1 1 calc R . .
C13 C 0.7771(17) 0.2858(14) 0.5368(14) 0.155(7) Uani 1 1 d U . .
H131 H 0.8029 0.2870 0.5978 0.232 Uiso 1 1 calc R . .
H132 H 0.8103 0.2409 0.5021 0.232 Uiso 1 1 calc R . .
H133 H 0.6993 0.2656 0.5300 0.232 Uiso 1 1 calc R . .
C14 C 1.0861(13) 0.8954(12) 0.7573(11) 0.124(5) Uani 1 1 d U . .
H141 H 1.0889 0.9476 0.7196 0.187 Uiso 1 1 calc R . .
H142 H 1.1588 0.8910 0.7796 0.187 Uiso 1 1 calc R . .
H143 H 1.0440 0.9076 0.8057 0.187 Uiso 1 1 calc R . .
B B 1.4676(8) 0.7449(7) 0.1883(7) 0.057(2) Uani 1 1 d . . .
C1B C 1.4763(7) 0.6294(6) 0.1716(6) 0.055(2) Uani 1 1 d . . .
C2B C 1.5657(7) 0.6002(6) 0.1344(6) 0.057(2) Uani 1 1 d . . .
H2B H 1.6183 0.6472 0.1146 0.068 Uiso 1 1 calc R . .
C3B C 1.5788(7) 0.5044(6) 0.1260(6) 0.059(2) Uani 1 1 d . A .
C4B C 1.4999(8) 0.4314(7) 0.1499(6) 0.066(2) Uani 1 1 d . . .
H4B H 1.5066 0.3665 0.1410 0.079 Uiso 1 1 calc R . .
C5B C 1.4125(8) 0.4569(7) 0.1868(7) 0.066(2) Uani 1 1 d . . .
C6B C 1.4003(8) 0.5558(7) 0.1984(6) 0.065(2) Uani 1 1 d . . .
H6B H 1.3399 0.5713 0.2246 0.078 Uiso 1 1 calc R . .
C7B C 1.5289(7) 0.7845(6) 0.2867(6) 0.059(2) Uani 1 1 d . . .
C8B C 1.5299(8) 0.7254(8) 0.3565(7) 0.070(3) Uani 1 1 d . . .
H8B H 1.5015 0.6595 0.3451 0.084 Uiso 1 1 calc R . .
C9B C 1.5705(9) 0.7596(9) 0.4405(7) 0.076(3) Uani 1 1 d . B .
C10B C 1.6162(10) 0.8562(9) 0.4616(7) 0.084(3) Uani 1 1 d . . .
H10D H 1.6459 0.8791 0.5185 0.101 Uiso 1 1 calc R . .
C11B C 1.6158(10) 0.9188(8) 0.3929(8) 0.080(3) Uani 1 1 d . C .
C12B C 1.5752(8) 0.8829(7) 0.3104(6) 0.061(2) Uani 1 1 d . . .
H12B H 1.5780 0.9257 0.2664 0.073 Uiso 1 1 calc R . .
C13B C 1.3414(7) 0.7646(7) 0.1858(6) 0.059(2) Uani 1 1 d . . .
C14B C 1.3183(8) 0.8512(7) 0.2260(6) 0.069(2) Uani 1 1 d . . .
H14B H 1.3742 0.8931 0.2603 0.083 Uiso 1 1 calc R . .
C15B C 1.2183(9) 0.8766(8) 0.2171(7) 0.077(3) Uani 1 1 d . D .
C16B C 1.1316(9) 0.8157(9) 0.1684(7) 0.079(3) Uani 1 1 d . . .
H16B H 1.0633 0.8334 0.1619 0.094 Uiso 1 1 calc R . .
C17B C 1.1488(8) 0.7286(8) 0.1297(6) 0.068(2) Uani 1 1 d . E .
C18B C 1.2535(7) 0.7050(7) 0.1381(6) 0.064(2) Uani 1 1 d . . .
H18B H 1.2642 0.6466 0.1103 0.077 Uiso 1 1 calc R . .
C19B C 1.5269(7) 0.8024(6) 0.1080(5) 0.0517(19) Uani 1 1 d . . .
C20B C 1.6377(7) 0.8311(6) 0.1110(6) 0.056(2) Uani 1 1 d . . .
H20B H 1.6804 0.8233 0.1615 0.067 Uiso 1 1 calc R . .
C21B C 1.6886(7) 0.8722(7) 0.0397(6) 0.061(2) Uani 1 1 d . F .
C22B C 1.6283(8) 0.8854(7) -0.0358(6) 0.063(2) Uani 1 1 d . . .
H22B H 1.6617 0.9107 -0.0837 0.076 Uiso 1 1 calc R . .
C23B C 1.5152(8) 0.8596(6) -0.0382(6) 0.058(2) Uani 1 1 d . G .
C24B C 1.4667(7) 0.8194(6) 0.0323(6) 0.054(2) Uani 1 1 d . . .
H24B H 1.3910 0.8032 0.0291 0.064 Uiso 1 1 calc R . .
C1F C 1.6770(9) 0.4798(7) 0.0905(7) 0.075(3) Uani 1 1 d . . .
C2F C 1.3199(13) 0.3801(8) 0.2125(10) 0.102(4) Uani 1 1 d . . .
C3F C 1.5736(12) 0.6907(11) 0.5095(9) 0.106(4) Uani 1 1 d U . .
C4F C 1.6572(13) 1.0250(12) 0.4133(9) 0.111(5) Uani 1 1 d . . .
C5F C 1.2030(11) 0.9716(10) 0.2606(9) 0.100(4) Uani 1 1 d U . .
C6F C 1.0629(9) 0.6600(11) 0.0785(8) 0.097(4) Uani 1 1 d . . .
C7F C 1.8092(10) 0.8991(10) 0.0432(7) 0.090(3) Uani 1 1 d . . .
C8F C 1.4454(9) 0.8718(7) -0.1191(7) 0.071(3) Uani 1 1 d . . .
F1 F 1.7500(13) 0.4667(15) 0.1606(10) 0.106(5) Uiso 0.53(3) 1 d PD A 1
F2 F 1.7354(14) 0.5481(12) 0.0484(12) 0.102(5) Uiso 0.53(3) 1 d PD A 1
F3 F 1.6627(13) 0.3984(10) 0.0380(13) 0.102(5) Uiso 0.53(3) 1 d PD A 1
F1B F 1.6769(11) 0.3837(9) 0.0762(11) 0.081(5) Uiso 0.47(3) 1 d PD A 2
F2B F 1.7697(12) 0.5142(14) 0.1435(9) 0.088(5) Uiso 0.47(3) 1 d PD A 2
F3B F 1.6981(13) 0.5167(11) 0.0117(11) 0.085(5) Uiso 0.47(3) 1 d PD A 2
F4 F 1.3467(8) 0.2934(8) 0.2131(7) 0.146(3) Uiso 1 1 d . . .
F5 F 1.2929(7) 0.4010(6) 0.2928(6) 0.129(3) Uiso 1 1 d . . .
F6 F 1.2269(9) 0.3764(7) 0.1644(7) 0.147(3) Uiso 1 1 d . . .
F7 F 1.6422(12) 0.6426(12) 0.5098(10) 0.112(5) Uiso 0.545(16) 1 d PD B 1
F8 F 1.4717(10) 0.6218(10) 0.5060(9) 0.105(5) Uiso 0.545(16) 1 d PD B 1
F9 F 1.5627(12) 0.7304(11) 0.5909(10) 0.117(6) Uiso 0.545(16) 1 d PD B 1
F7B F 1.6060(12) 0.6009(12) 0.4763(11) 0.094(5) Uiso 0.455(16) 1 d PD B 2
F8B F 1.5039(15) 0.6744(14) 0.5513(13) 0.122(7) Uiso 0.455(16) 1 d PD B 2
F9B F 1.6740(13) 0.7186(12) 0.5660(11) 0.117(7) Uiso 0.455(16) 1 d PD B 2
F10 F 1.6715(14) 1.0785(13) 0.3424(11) 0.121(7) Uiso 0.50(2) 1 d PD C 3
F11 F 1.7594(13) 1.0421(11) 0.4558(12) 0.112(6) Uiso 0.50(2) 1 d PD C 3
F12 F 1.5998(16) 1.0722(14) 0.4630(12) 0.133(7) Uiso 0.50(2) 1 d PD C 3
F10B F 1.6494(16) 1.0515(13) 0.5002(13) 0.121(7) Uiso 0.50(2) 1 d P C 4
F11B F 1.5880(16) 1.0779(12) 0.3822(12) 0.123(7) Uiso 0.50(2) 1 d P C 4
F12B F 1.753(2) 1.0513(18) 0.3901(19) 0.165(9) Uiso 0.50(2) 1 d P C 4
F13 F 1.2943(13) 1.0309(12) 0.2975(12) 0.117(7) Uiso 0.484(18) 1 d PD D 5
F14 F 1.1337(15) 0.9669(13) 0.3176(12) 0.127(7) Uiso 0.484(18) 1 d PD D 5
F15 F 1.1655(15) 1.0289(14) 0.1991(12) 0.133(8) Uiso 0.484(18) 1 d PD D 5
F13B F 1.2141(13) 0.9739(11) 0.3508(10) 0.117(6) Uiso 0.516(18) 1 d PD D 6
F14B F 1.0916(13) 0.9775(11) 0.2489(11) 0.120(6) Uiso 0.516(18) 1 d PD D 6
F15B F 1.2589(14) 1.0415(13) 0.2349(12) 0.128(7) Uiso 0.516(18) 1 d PD D 6
F16 F 0.9891(11) 0.7004(9) 0.0312(12) 0.107(6) Uiso 0.60(3) 1 d PD E 7
F17 F 0.9973(13) 0.6061(12) 0.1327(9) 0.112(6) Uiso 0.60(3) 1 d PD E 7
F18 F 1.0902(11) 0.5938(13) 0.0214(9) 0.103(5) Uiso 0.60(3) 1 d PD E 7
F16B F 1.036(2) 0.570(2) 0.1171(14) 0.119(9) Uiso 0.40(3) 1 d PD E 8
F18B F 0.968(2) 0.6941(18) 0.075(2) 0.147(11) Uiso 0.40(3) 1 d PD E 8
F17B F 1.0892(17) 0.636(2) 0.0014(16) 0.114(8) Uiso 0.40(3) 1 d PD E 8
F19 F 1.8627(12) 0.8696(15) 0.1097(10) 0.107(5) Uiso 0.57(3) 1 d PD F 9
F20 F 1.8416(12) 1.0004(11) 0.0466(13) 0.106(6) Uiso 0.57(3) 1 d PD F 9
F21 F 1.8511(11) 0.8695(13) -0.0316(11) 0.105(6) Uiso 0.57(3) 1 d PD F 9
F19B F 1.8526(17) 0.829(2) -0.0006(16) 0.117(8) Uiso 0.43(3) 1 d PD F 10
F20B F 1.8606(14) 0.9116(17) 0.1253(11) 0.089(7) Uiso 0.43(3) 1 d PD F 10
F21B F 1.8433(18) 0.9789(16) 0.005(2) 0.122(8) Uiso 0.43(3) 1 d PD F 10
F22 F 1.3977(12) 0.7912(9) -0.1628(9) 0.089(5) Uiso 0.53(2) 1 d PD G 11
F23 F 1.4998(13) 0.9279(11) -0.1772(11) 0.116(6) Uiso 0.53(2) 1 d PD G 11
F24 F 1.3655(10) 0.9204(11) -0.1017(8) 0.092(5) Uiso 0.53(2) 1 d PD G 11
F22B F 1.3371(15) 0.8596(15) -0.1085(12) 0.117(7) Uiso 0.47(2) 1 d PD G 12
F23B F 1.4555(13) 0.8111(9) -0.1856(9) 0.082(5) Uiso 0.47(2) 1 d PD G 12
F24B F 1.4685(12) 0.9600(11) -0.1427(11) 0.093(5) Uiso 0.47(2) 1 d PD G 12
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'
Pt Pt -1.7033 8.3905 '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
_geom_angle_publ_flag
C1 Pt N1 94.4(5) . . ?
C1 Pt C1L 89.3(7) . . ?
N1 Pt C1L 160.1(6) . . ?
C1 Pt N2 173.7(5) . . ?
N1 Pt N2 79.6(4) . . ?
C1L Pt N2 97.1(6) . . ?
C1 Pt C2L 89.3(7) . . ?
N1 Pt C2L 162.4(5) . . ?
C1L Pt C2L 36.8(6) . . ?
N2 Pt C2L 95.9(6) . . ?
C2L C1L Pt 72.9(10) . . ?
C1L C2L Pt 70.3(9) . . ?
C2 N1 C10 118.3(10) . . ?
C2 N1 Pt 128.5(8) . . ?
C10 N1 Pt 113.2(8) . . ?
C9 N2 C10' 116.5(11) . . ?
C9 N2 Pt 130.8(9) . . ?
C10' N2 Pt 112.7(8) . . ?
N1 C2 C3 123.9(12) . . ?
C4 C3 C2 116.5(13) . . ?
C4 C3 C14 126.3(14) . . ?
C2 C3 C14 117.2(14) . . ?
C3 C4 C4' 114.6(11) . . ?
C3 C4 C12 115.9(16) . . ?
C4' C4 C12 129.5(15) . . ?
C10 C4' C4 129.9(11) . . ?
C10 C4' C5 117.4(11) . . ?
C4 C4' C5 112.4(11) . . ?
C6 C5 C4' 117.6(13) . . ?
C5 C6 C6' 123.7(14) . . ?
C7 C6' C10' 120.3(13) . . ?
C7 C6' C6 126.3(14) . . ?
C10' C6' C6 113.4(14) . . ?
C6' C7 C8 115.4(12) . . ?
C6' C7 C13 120.5(17) . . ?
C8 C7 C13 124.1(17) . . ?
C9 C8 C7 120.4(14) . . ?
C9 C8 C11 120.0(17) . . ?
C7 C8 C11 119.6(15) . . ?
C8 C9 N2 126.4(14) . . ?
C4' C10 N1 116.7(11) . . ?
C4' C10 C10' 125.9(11) . . ?
N1 C10 C10' 117.4(10) . . ?
N2 C10' C6' 121.0(12) . . ?
N2 C10' C10 117.1(10) . . ?
C6' C10' C10 121.9(11) . . ?
C1B B C13B 113.7(8) . . ?
C1B B C7B 107.2(7) . . ?
C13B B C7B 108.3(7) . . ?
C1B B C19B 107.5(7) . . ?
C13B B C19B 107.6(7) . . ?
C7B B C19B 112.6(8) . . ?
C6B C1B C2B 115.8(7) . . ?
C6B C1B B 122.5(8) . . ?
C2B C1B B 121.6(8) . . ?
C3B C2B C1B 122.6(8) . . ?
C4B C3B C2B 120.8(8) . . ?
C4B C3B C1F 119.6(8) . . ?
C2B C3B C1F 119.6(9) . . ?
C5B C4B C3B 118.2(8) . . ?
C4B C5B C6B 121.1(9) . . ?
C4B C5B C2F 121.3(9) . . ?
C6B C5B C2F 117.4(9) . . ?
C1B C6B C5B 121.3(8) . . ?
C8B C7B C12B 114.0(9) . . ?
C8B C7B B 122.8(8) . . ?
C12B C7B B 122.9(8) . . ?
C9B C8B C7B 123.3(10) . . ?
C8B C9B C10B 121.4(10) . . ?
C8B C9B C3F 119.6(12) . . ?
C10B C9B C3F 118.8(11) . . ?
C9B C10B C11B 117.1(10) . . ?
C12B C11B C10B 120.1(10) . . ?
C12B C11B C4F 120.5(11) . . ?
C10B C11B C4F 119.4(11) . . ?
C11B C12B C7B 124.0(9) . . ?
C18B C13B C14B 115.0(8) . . ?
C18B C13B B 124.2(8) . . ?
C14B C13B B 120.6(9) . . ?
C15B C14B C13B 123.0(10) . . ?
C14B C15B C16B 120.8(10) . . ?
C14B C15B C5F 118.9(12) . . ?
C16B C15B C5F 120.3(10) . . ?
C17B C16B C15B 118.6(9) . . ?
C16B C17B C18B 119.6(10) . . ?
C16B C17B C6F 122.4(10) . . ?
C18B C17B C6F 118.0(10) . . ?
C13B C18B C17B 123.0(9) . . ?
C20B C19B C24B 116.6(8) . . ?
C20B C19B B 121.9(7) . . ?
C24B C19B B 121.4(8) . . ?
C19B C20B C21B 121.9(8) . . ?
C22B C21B C20B 120.8(8) . . ?
C22B C21B C7F 118.3(9) . . ?
C20B C21B C7F 120.9(9) . . ?
C21B C22B C23B 117.7(8) . . ?
C24B C23B C22B 120.7(8) . . ?
C24B C23B C8F 119.3(9) . . ?
C22B C23B C8F 120.0(8) . . ?
C19B C24B C23B 122.3(8) . . ?
F3 C1F F2 106.4(11) . . ?
F3 C1F F1B 28.3(8) . . ?
F2 C1F F1B 124.4(12) . . ?
F3 C1F F2B 123.3(12) . . ?
F2 C1F F2B 73.6(10) . . ?
F1B C1F F2B 104.3(10) . . ?
F3 C1F F3B 79.7(10) . . ?
F2 C1F F3B 32.7(7) . . ?
F1B C1F F3B 105.0(10) . . ?
F2B C1F F3B 103.9(11) . . ?
F3 C1F F1 105.4(10) . . ?
F2 C1F F1 103.1(11) . . ?
F1B C1F F1 79.5(9) . . ?
F2B C1F F1 31.2(7) . . ?
F3B C1F F1 129.3(12) . . ?
F3 C1F C3B 115.8(11) . . ?
F2 C1F C3B 116.2(10) . . ?
F1B C1F C3B 114.9(11) . . ?
F2B C1F C3B 113.7(10) . . ?
F3B C1F C3B 113.9(10) . . ?
F1 C1F C3B 108.8(11) . . ?
F6 C2F F4 111.0(12) . . ?
F6 C2F F5 101.8(12) . . ?
F4 C2F F5 105.6(11) . . ?
F6 C2F C5B 113.4(11) . . ?
F4 C2F C5B 112.4(12) . . ?
F5 C2F C5B 111.8(10) . . ?
F8B C3F F7 120.5(18) . . ?
F8B C3F F9 51.4(11) . . ?
F7 C3F F9 112.4(14) . . ?
F8B C3F F9B 109.2(15) . . ?
F7 C3F F9B 58.4(10) . . ?
F9 C3F F9B 64.9(10) . . ?
F8B C3F F8 42.5(11) . . ?
F7 C3F F8 105.1(14) . . ?
F9 C3F F8 93.7(11) . . ?
F9B C3F F8 138.7(14) . . ?
F8B C3F F7B 110.4(16) . . ?
F7 C3F F7B 33.3(9) . . ?
F9 C3F F7B 134.0(14) . . ?
F9B C3F F7B 91.6(11) . . ?
F8 C3F F7B 78.3(11) . . ?
F8B C3F C9B 120.4(16) . . ?
F7 C3F C9B 118.1(14) . . ?
F9 C3F C9B 113.2(13) . . ?
F9B C3F C9B 109.5(14) . . ?
F8 C3F C9B 111.4(12) . . ?
F7B C3F C9B 111.9(11) . . ?
F12B C4F F12 129.9(19) . . ?
F12B C4F F11B 113(2) . . ?
F12 C4F F11B 56.5(12) . . ?
F12B C4F F11 45.2(13) . . ?
F12 C4F F11 105.2(13) . . ?
F11B C4F F11 136.5(17) . . ?
F12B C4F F10 60.8(15) . . ?
F12 C4F F10 104.1(15) . . ?
F11B C4F F10 55.2(11) . . ?
F11 C4F F10 102.1(15) . . ?
F12B C4F F10B 112.4(18) . . ?
F12 C4F F10B 39.7(10) . . ?
F11B C4F F10B 95.7(14) . . ?
F11 C4F F10B 71.7(12) . . ?
F10 C4F F10B 131.6(16) . . ?
F12B C4F C11B 112.5(16) . . ?
F12 C4F C11B 116.5(16) . . ?
F11B C4F C11B 112.1(13) . . ?
F11 C4F C11B 111.3(14) . . ?
F10 C4F C11B 116.1(12) . . ?
F10B C4F C11B 110.3(15) . . ?
F15B C5F F14 130.2(16) . . ?
F15B C5F F13 48.3(10) . . ?
F14 C5F F13 107.0(14) . . ?
F15B C5F F13B 111.3(15) . . ?
F14 C5F F13B 48.0(9) . . ?
F13 C5F F13B 66.8(11) . . ?
F15B C5F F15 56.1(10) . . ?
F14 C5F F15 104.2(12) . . ?
F13 C5F F15 101.3(13) . . ?
F13B C5F F15 136.1(14) . . ?
F15B C5F F14B 111.1(13) . . ?
F14 C5F F14B 51.4(9) . . ?
F13 C5F F14B 135.5(14) . . ?
F13B C5F F14B 98.8(10) . . ?
F15 C5F F14B 59.1(10) . . ?
F15B C5F C15B 114.0(13) . . ?
F14 C5F C15B 115.8(14) . . ?
F13 C5F C15B 116.1(12) . . ?
F13B C5F C15B 112.2(12) . . ?
F15 C5F C15B 110.9(13) . . ?
F14B C5F C15B 108.3(13) . . ?
F17B C6F F18 30.5(11) . . ?
F17B C6F F16 82.1(12) . . ?
F18 C6F F16 104.4(11) . . ?
F17B C6F F18B 112.0(16) . . ?
F18 C6F F18B 126.6(17) . . ?
F16 C6F F18B 31.9(12) . . ?
F17B C6F F17 129.7(17) . . ?
F18 C6F F17 104.3(13) . . ?
F16 C6F F17 101.4(10) . . ?
F18B C6F F17 73.9(12) . . ?
F17B C6F F16B 104.9(16) . . ?
F18 C6F F16B 75.3(12) . . ?
F16 C6F F16B 123.3(14) . . ?
F18B C6F F16B 103.1(13) . . ?
F17 C6F F16B 32.6(9) . . ?
F17B C6F C17B 112.3(13) . . ?
F18 C6F C17B 118.7(10) . . ?
F16 C6F C17B 115.1(13) . . ?
F18B C6F C17B 110.7(16) . . ?
F17 C6F C17B 111.1(11) . . ?
F16B C6F C17B 113.4(12) . . ?
F19 C7F F21B 124.4(15) . . ?
F19 C7F F20B 27.1(8) . . ?
F21B C7F F20B 106.5(14) . . ?
F19 C7F F19B 80.6(12) . . ?
F21B C7F F19B 104.7(13) . . ?
F20B C7F F19B 105.4(13) . . ?
F19 C7F F21 107.6(12) . . ?
F21B C7F F21 74.3(12) . . ?
F20B C7F F21 126.0(13) . . ?
F19B C7F F21 32.8(9) . . ?
F19 C7F F20 106.9(11) . . ?
F21B C7F F20 29.1(10) . . ?
F20B C7F F20 82.9(11) . . ?
F19B C7F F20 128.4(14) . . ?
F21 C7F F20 101.8(11) . . ?
F19 C7F C21B 115.3(12) . . ?
F21B C7F C21B 113.7(14) . . ?
F20B C7F C21B 114.6(11) . . ?
F19B C7F C21B 111.1(13) . . ?
F21 C7F C21B 113.5(10) . . ?
F20 C7F C21B 110.7(11) . . ?
F22 C8F F24B 131.5(12) . . ?
F22 C8F F23B 37.6(7) . . ?
F24B C8F F23B 108.6(11) . . ?
F22 C8F F24 105.4(11) . . ?
F24B C8F F24 69.8(9) . . ?
F23B C8F F24 131.3(11) . . ?
F22 C8F F22B 71.6(10) . . ?
F24B C8F F22B 103.7(11) . . ?
F23B C8F F22B 106.1(11) . . ?
F24 C8F F22B 37.2(8) . . ?
F22 C8F F23 107.3(11) . . ?
F24B C8F F23 36.2(7) . . ?
F23B C8F F23 75.0(10) . . ?
F24 C8F F23 101.8(9) . . ?
F22B C8F F23 126.7(12) . . ?
F22 C8F C23B 114.6(9) . . ?
F24B C8F C23B 111.1(10) . . ?
F23B C8F C23B 112.4(10) . . ?
F24 C8F C23B 113.0(10) . . ?
F22B C8F C23B 114.3(11) . . ?
F23 C8F C23B 113.7(11) . . ?
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
Pt C1 2.019(16) . ?
Pt N1 2.075(8) . ?
Pt C1L 2.094(14) . ?
Pt N2 2.113(10) . ?
Pt C2L 2.126(15) . ?
C1L C2L 1.33(2) . ?
N1 C2 1.312(15) . ?
N1 C10 1.373(14) . ?
N2 C9 1.327(15) . ?
N2 C10' 1.359(14) . ?
C2 C3 1.392(17) . ?
C3 C4 1.36(2) . ?
C3 C14 1.54(2) . ?
C4 C4' 1.37(2) . ?
C4 C12 1.56(2) . ?
C4' C10 1.231(14) . ?
C4' C5 1.550(19) . ?
C5 C6 1.36(2) . ?
C6 C6' 1.47(2) . ?
C6' C7 1.41(2) . ?
C6' C10' 1.405(17) . ?
C7 C8 1.40(2) . ?
C7 C13 1.48(2) . ?
C8 C9 1.317(19) . ?
C8 C11 1.51(2) . ?
C10 C10' 1.429(17) . ?
B C1B 1.645(12) . ?
B C13B 1.646(13) . ?
B C7B 1.647(14) . ?
B C19B 1.664(13) . ?
C1B C6B 1.383(13) . ?
C1B C2B 1.399(11) . ?
C2B C3B 1.379(12) . ?
C3B C4B 1.383(13) . ?
C3B C1F 1.462(14) . ?
C4B C5B 1.354(13) . ?
C5B C6B 1.422(13) . ?
C5B C2F 1.532(17) . ?
C7B C8B 1.395(13) . ?
C7B C12B 1.412(13) . ?
C8B C9B 1.363(15) . ?
C9B C10B 1.381(16) . ?
C9B C3F 1.483(17) . ?
C10B C11B 1.415(15) . ?
C11B C12B 1.349(14) . ?
C11B C4F 1.491(19) . ?
C13B C18B 1.382(13) . ?
C13B C14B 1.405(12) . ?
C14B C15B 1.359(13) . ?
C15B C16B 1.387(16) . ?
C15B C5F 1.494(16) . ?
C16B C17B 1.376(14) . ?
C17B C18B 1.404(12) . ?
C17B C6F 1.449(17) . ?
C19B C20B 1.369(12) . ?
C19B C24B 1.389(11) . ?
C20B C21B 1.408(12) . ?
C21B C22B 1.372(13) . ?
C21B C7F 1.485(15) . ?
C22B C23B 1.395(13) . ?
C23B C24B 1.380(12) . ?
C23B C8F 1.496(13) . ?
C1F F3 1.325(17) . ?
C1F F2 1.332(17) . ?
C1F F1B 1.350(16) . ?
C1F F2B 1.356(17) . ?
C1F F3B 1.368(18) . ?
C1F F1 1.396(18) . ?
C2F F6 1.319(16) . ?
C2F F4 1.316(14) . ?
C2F F5 1.321(15) . ?
C3F F8B 1.12(2) . ?
C3F F7 1.180(17) . ?
C3F F9 1.349(19) . ?
C3F F9B 1.45(2) . ?
C3F F8 1.45(2) . ?
C3F F7B 1.46(2) . ?
C4F F12B 1.28(3) . ?
C4F F12 1.30(2) . ?
C4F F11B 1.32(2) . ?
C4F F11 1.36(2) . ?
C4F F10 1.36(2) . ?
C4F F10B 1.37(2) . ?
C5F F15B 1.207(19) . ?
C5F F14 1.27(2) . ?
C5F F13 1.35(2) . ?
C5F F13B 1.37(2) . ?
C5F F15 1.38(2) . ?
C5F F14B 1.41(2) . ?
C6F F17B 1.28(2) . ?
C6F F18 1.332(18) . ?
C6F F16 1.355(16) . ?
C6F F18B 1.35(3) . ?
C6F F17 1.378(17) . ?
C6F F16B 1.42(3) . ?
C7F F19 1.306(17) . ?
C7F F21B 1.32(2) . ?
C7F F20B 1.35(2) . ?
C7F F19B 1.36(2) . ?
C7F F21 1.356(18) . ?
C7F F20 1.404(19) . ?
C8F F22 1.295(16) . ?
C8F F24B 1.302(17) . ?
C8F F23B 1.304(16) . ?
C8F F24 1.335(16) . ?
C8F F22B 1.358(19) . ?
C8F F23 1.368(18) . ?
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
C1 Pt C1L C2L -89.8(13) . . . . ?
N1 Pt C1L C2L 169.4(13) . . . . ?
N2 Pt C1L C2L 90.5(12) . . . . ?
C1 Pt C2L C1L 89.7(13) . . . . ?
N1 Pt C2L C1L -168.0(15) . . . . ?
N2 Pt C2L C1L -93.9(12) . . . . ?
C1 Pt N1 C2 -0.4(11) . . . . ?
C1L Pt N1 C2 100(2) . . . . ?
N2 Pt N1 C2 -178.5(10) . . . . ?
C2L Pt N1 C2 -102(2) . . . . ?
C1 Pt N1 C10 178.9(8) . . . . ?
C1L Pt N1 C10 -81.2(19) . . . . ?
N2 Pt N1 C10 0.8(7) . . . . ?
C2L Pt N1 C10 77(2) . . . . ?
C1 Pt N2 C9 163(5) . . . . ?
N1 Pt N2 C9 -179.8(10) . . . . ?
C1L Pt N2 C9 -19.7(11) . . . . ?
C2L Pt N2 C9 17.4(10) . . . . ?
C1 Pt N2 C10' -18(5) . . . . ?
N1 Pt N2 C10' -0.2(7) . . . . ?
C1L Pt N2 C10' 159.9(9) . . . . ?
C2L Pt N2 C10' -163.0(8) . . . . ?
C10 N1 C2 C3 0.9(17) . . . . ?
Pt N1 C2 C3 -179.9(8) . . . . ?
N1 C2 C3 C4 -1.5(18) . . . . ?
N1 C2 C3 C14 178.9(11) . . . . ?
C2 C3 C4 C4' 2.8(16) . . . . ?
C14 C3 C4 C4' -177.6(11) . . . . ?
C2 C3 C4 C12 -180.0(11) . . . . ?
C14 C3 C4 C12 -0.3(19) . . . . ?
C3 C4 C4' C10 -4.5(17) . . . . ?
C12 C4 C4' C10 178.7(12) . . . . ?
C3 C4 C4' C5 -178.2(10) . . . . ?
C12 C4 C4' C5 4.9(17) . . . . ?
C10 C4' C5 C6 1.0(17) . . . . ?
C4 C4' C5 C6 175.6(12) . . . . ?
C4' C5 C6 C6' 0(2) . . . . ?
C5 C6 C6' C7 -179.9(13) . . . . ?
C5 C6 C6' C10' 0.3(18) . . . . ?
C10' C6' C7 C8 0.7(16) . . . . ?
C6 C6' C7 C8 -179.1(11) . . . . ?
C10' C6' C7 C13 -177.8(12) . . . . ?
C6 C6' C7 C13 2.4(19) . . . . ?
C6' C7 C8 C9 0.3(17) . . . . ?
C13 C7 C8 C9 178.7(13) . . . . ?
C6' C7 C8 C11 -179.9(11) . . . . ?
C13 C7 C8 C11 -2(2) . . . . ?
C7 C8 C9 N2 -2.8(19) . . . . ?
C11 C8 C9 N2 177.5(11) . . . . ?
C10' N2 C9 C8 3.9(16) . . . . ?
Pt N2 C9 C8 -176.5(9) . . . . ?
C4 C4' C10 N1 3.9(15) . . . . ?
C5 C4' C10 N1 177.5(9) . . . . ?
C4 C4' C10 C10' -176.0(10) . . . . ?
C5 C4' C10 C10' -2.5(15) . . . . ?
C2 N1 C10 C4' -1.9(14) . . . . ?
Pt N1 C10 C4' 178.8(7) . . . . ?
C2 N1 C10 C10' 178.0(9) . . . . ?
Pt N1 C10 C10' -1.3(11) . . . . ?
C9 N2 C10' C6' -2.6(14) . . . . ?
Pt N2 C10' C6' 177.7(7) . . . . ?
C9 N2 C10' C10 179.2(9) . . . . ?
Pt N2 C10' C10 -0.5(11) . . . . ?
C7 C6' C10' N2 0.5(15) . . . . ?
C6 C6' C10' N2 -179.7(9) . . . . ?
C7 C6' C10' C10 178.6(9) . . . . ?
C6 C6' C10' C10 -1.6(14) . . . . ?
C4' C10 C10' N2 -178.9(9) . . . . ?
N1 C10 C10' N2 1.2(13) . . . . ?
C4' C10 C10' C6' 3.0(16) . . . . ?
N1 C10 C10' C6' -177.0(9) . . . . ?
C13B B C1B C6B -32.2(12) . . . . ?
C7B B C1B C6B 87.4(10) . . . . ?
C19B B C1B C6B -151.2(8) . . . . ?
C13B B C1B C2B 152.1(8) . . . . ?
C7B B C1B C2B -88.2(10) . . . . ?
C19B B C1B C2B 33.1(11) . . . . ?
C6B C1B C2B C3B -1.0(13) . . . . ?
B C1B C2B C3B 174.9(8) . . . . ?
C1B C2B C3B C4B 3.6(14) . . . . ?
C1B C2B C3B C1F -177.0(9) . . . . ?
C2B C3B C4B C5B -3.9(14) . . . . ?
C1F C3B C4B C5B 176.7(9) . . . . ?
C3B C4B C5B C6B 1.7(15) . . . . ?
C3B C4B C5B C2F 178.1(10) . . . . ?
C2B C1B C6B C5B -1.2(13) . . . . ?
B C1B C6B C5B -177.1(8) . . . . ?
C4B C5B C6B C1B 0.8(15) . . . . ?
C2F C5B C6B C1B -175.7(10) . . . . ?
C1B B C7B C8B -32.2(11) . . . . ?
C13B B C7B C8B 90.9(10) . . . . ?
C19B B C7B C8B -150.3(8) . . . . ?
C1B B C7B C12B 154.4(8) . . . . ?
C13B B C7B C12B -82.5(10) . . . . ?
C19B B C7B C12B 36.3(11) . . . . ?
C12B C7B C8B C9B 0.9(14) . . . . ?
B C7B C8B C9B -173.0(9) . . . . ?
C7B C8B C9B C10B -1.5(16) . . . . ?
C7B C8B C9B C3F -176.8(10) . . . . ?
C8B C9B C10B C11B 2.0(17) . . . . ?
C3F C9B C10B C11B 177.3(11) . . . . ?
C9B C10B C11B C12B -2.1(17) . . . . ?
C9B C10B C11B C4F 175.9(11) . . . . ?
C10B C11B C12B C7B 1.7(17) . . . . ?
C4F C11B C12B C7B -176.2(11) . . . . ?
C8B C7B C12B C11B -1.0(14) . . . . ?
B C7B C12B C11B 172.9(9) . . . . ?
C1B B C13B C18B -27.8(12) . . . . ?
C7B B C13B C18B -146.9(8) . . . . ?
C19B B C13B C18B 91.1(10) . . . . ?
C1B B C13B C14B 159.1(8) . . . . ?
C7B B C13B C14B 40.1(11) . . . . ?
C19B B C13B C14B -81.9(10) . . . . ?
C18B C13B C14B C15B -1.8(13) . . . . ?
B C13B C14B C15B 171.9(9) . . . . ?
C13B C14B C15B C16B 1.4(15) . . . . ?
C13B C14B C15B C5F -178.3(10) . . . . ?
C14B C15B C16B C17B 0.6(15) . . . . ?
C5F C15B C16B C17B -179.7(10) . . . . ?
C15B C16B C17B C18B -2.1(14) . . . . ?
C15B C16B C17B C6F 179.3(10) . . . . ?
C14B C13B C18B C17B 0.2(13) . . . . ?
B C13B C18B C17B -173.2(8) . . . . ?
C16B C17B C18B C13B 1.7(14) . . . . ?
C6F C17B C18B C13B -179.6(9) . . . . ?
C1B B C19B C20B -81.6(10) . . . . ?
C13B B C19B C20B 155.6(8) . . . . ?
C7B B C19B C20B 36.3(10) . . . . ?
C1B B C19B C24B 95.2(9) . . . . ?
C13B B C19B C24B -27.6(11) . . . . ?
C7B B C19B C24B -146.9(7) . . . . ?
C24B C19B C20B C21B -2.6(12) . . . . ?
B C19B C20B C21B 174.4(8) . . . . ?
C19B C20B C21B C22B 0.4(13) . . . . ?
C19B C20B C21B C7F -177.5(9) . . . . ?
C20B C21B C22B C23B 1.9(13) . . . . ?
C7F C21B C22B C23B 179.8(9) . . . . ?
C21B C22B C23B C24B -1.9(13) . . . . ?
C21B C22B C23B C8F -179.6(8) . . . . ?
C20B C19B C24B C23B 2.5(12) . . . . ?
B C19B C24B C23B -174.4(7) . . . . ?
C22B C23B C24B C19B -0.3(13) . . . . ?
C8F C23B C24B C19B 177.3(8) . . . . ?
C4B C3B C1F F3 37.5(16) . . . . ?
C2B C3B C1F F3 -141.9(13) . . . . ?
C4B C3B C1F F2 163.4(13) . . . . ?
C2B C3B C1F F2 -16.0(16) . . . . ?
C4B C3B C1F F1B 6.1(16) . . . . ?
C2B C3B C1F F1B -173.3(11) . . . . ?
C4B C3B C1F F2B -114.0(13) . . . . ?
C2B C3B C1F F2B 66.6(15) . . . . ?
C4B C3B C1F F3B 127.3(12) . . . . ?
C2B C3B C1F F3B -52.1(15) . . . . ?
C4B C3B C1F F1 -80.8(14) . . . . ?
C2B C3B C1F F1 99.7(13) . . . . ?
C4B C5B C2F F6 -112.9(12) . . . . ?
C6B C5B C2F F6 63.6(14) . . . . ?
C4B C5B C2F F4 14.1(17) . . . . ?
C6B C5B C2F F4 -169.4(10) . . . . ?
C4B C5B C2F F5 132.7(11) . . . . ?
C6B C5B C2F F5 -50.8(15) . . . . ?
C8B C9B C3F F8B -92(2) . . . . ?
C10B C9B C3F F8B 93(2) . . . . ?
C8B C9B C3F F7 76.6(19) . . . . ?
C10B C9B C3F F7 -98.8(18) . . . . ?
C8B C9B C3F F9 -149.2(12) . . . . ?
C10B C9B C3F F9 35.4(18) . . . . ?
C8B C9B C3F F9B 140.5(12) . . . . ?
C10B C9B C3F F9B -34.9(16) . . . . ?
C8B C9B C3F F8 -45.2(16) . . . . ?
C10B C9B C3F F8 139.5(12) . . . . ?
C8B C9B C3F F7B 40.4(17) . . . . ?
C10B C9B C3F F7B -135.0(13) . . . . ?
C12B C11B C4F F12B -80(2) . . . . ?
C10B C11B C4F F12B 102(2) . . . . ?
C12B C11B C4F F12 110.7(16) . . . . ?
C10B C11B C4F F12 -67.3(19) . . . . ?
C12B C11B C4F F11B 48.3(19) . . . . ?
C10B C11B C4F F11B -129.7(15) . . . . ?
C12B C11B C4F F11 -128.8(14) . . . . ?
C10B C11B C4F F11 53.2(18) . . . . ?
C12B C11B C4F F10 -13(2) . . . . ?
C10B C11B C4F F10 169.5(13) . . . . ?
C12B C11B C4F F10B 153.6(14) . . . . ?
C10B C11B C4F F10B -24.3(19) . . . . ?
C14B C15B C5F F15B 61.1(18) . . . . ?
C16B C15B C5F F15B -118.6(15) . . . . ?
C14B C15B C5F F14 -119.4(15) . . . . ?
C16B C15B C5F F14 60.9(18) . . . . ?
C14B C15B C5F F13 7.4(18) . . . . ?
C16B C15B C5F F13 -172.3(13) . . . . ?
C14B C15B C5F F13B -66.7(15) . . . . ?
C16B C15B C5F F13B 113.6(14) . . . . ?
C14B C15B C5F F15 122.2(13) . . . . ?
C16B C15B C5F F15 -57.5(16) . . . . ?
C14B C15B C5F F14B -174.7(11) . . . . ?
C16B C15B C5F F14B 5.6(16) . . . . ?
C16B C17B C6F F17B 126.1(18) . . . . ?
C18B C17B C6F F17B -53(2) . . . . ?
C16B C17B C6F F18 159.2(13) . . . . ?
C18B C17B C6F F18 -19.5(17) . . . . ?
C16B C17B C6F F16 34.5(16) . . . . ?
C18B C17B C6F F16 -144.2(12) . . . . ?
C16B C17B C6F F18B 0(2) . . . . ?
C18B C17B C6F F18B -178.7(18) . . . . ?
C16B C17B C6F F17 -80.0(15) . . . . ?
C18B C17B C6F F17 101.3(13) . . . . ?
C16B C17B C6F F16B -115.3(17) . . . . ?
C18B C17B C6F F16B 66.0(18) . . . . ?
C22B C21B C7F F19 -168.7(13) . . . . ?
C20B C21B C7F F19 9.3(18) . . . . ?
C22B C21B C7F F21B 38.5(19) . . . . ?
C20B C21B C7F F21B -143.5(17) . . . . ?
C22B C21B C7F F20B 161.4(14) . . . . ?
C20B C21B C7F F20B -20.7(18) . . . . ?
C22B C21B C7F F19B -79.3(18) . . . . ?
C20B C21B C7F F19B 98.7(17) . . . . ?
C22B C21B C7F F21 -43.9(16) . . . . ?
C20B C21B C7F F21 134.1(13) . . . . ?
C22B C21B C7F F20 69.8(14) . . . . ?
C20B C21B C7F F20 -112.3(13) . . . . ?
C24B C23B C8F F22 -67.3(14) . . . . ?
C22B C23B C8F F22 110.3(12) . . . . ?
C24B C23B C8F F24B 129.6(12) . . . . ?
C22B C23B C8F F24B -52.7(14) . . . . ?
C24B C23B C8F F23B -108.4(12) . . . . ?
C22B C23B C8F F23B 69.2(13) . . . . ?
C24B C23B C8F F24 53.4(13) . . . . ?
C22B C23B C8F F24 -128.9(11) . . . . ?
C24B C23B C8F F22B 12.7(15) . . . . ?
C22B C23B C8F F22B -169.7(12) . . . . ?
C24B C23B C8F F23 168.7(11) . . . . ?
C22B C23B C8F F23 -13.6(14) . . . . ?
