#------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/56/1515691.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_1515691
loop_
_publ_author_name
'Murahashi, Tetsuro'
'Usui, Kentaro'
'Inoue, Ryou'
'Ogoshi, Sensuke'
'Kurosawa, Hideo'
_publ_section_title
;
 Metallocenoids of platinum: Syntheses and structures of triangular
 triplatinum sandwich complexes of cycloheptatrienyl
;
_journal_issue                   1
_journal_name_full               'Chemical Science'
_journal_page_first              117
_journal_paper_doi               10.1039/c0sc00269k
_journal_volume                  2
_journal_year                    2011
_chemical_formula_moiety         'C60 H41 B Cl2 F30 Pt3 '
_chemical_formula_sum            'C60 H41 B Cl2 F30 Pt3'
_chemical_formula_weight         1998.92
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             'Fri Feb 6 16:56:49 2009'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                97.219(1)
_cell_angle_beta                 90.674(1)
_cell_angle_gamma                105.503(1)
_cell_formula_units_Z            2
_cell_length_a                   12.3189(5)
_cell_length_b                   15.2911(6)
_cell_length_c                   16.4704(5)
_cell_measurement_reflns_used    21420
_cell_measurement_temperature    123.2
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      3.0
_cell_volume                     2962.60(19)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  SHELXL97
_computing_structure_solution    'DIRDIF94 (PATTY)'
_diffrn_detector_area_resol_mean 10.00
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.111
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            29229
_diffrn_reflns_theta_max         27.47
_exptl_absorpt_coefficient_mu    7.264
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.241
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.100
_refine_diff_density_max         3.35
_refine_diff_density_min         -3.01
_refine_ls_extinction_coef       0.0000
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.988
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     892
_refine_ls_number_reflns         11375
_refine_ls_R_factor_gt           0.0561
_refine_ls_shift/su_max          0.5220
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²) + (0.1000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1575
_reflns_number_gt                11375
_reflns_number_total             13421
_reflns_threshold_expression     >2.0sigma(I)
_cod_data_source_file            c0sc00269k.txt
_cod_data_source_block           usui4
_cod_original_cell_volume        2962.6(2)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C60 H41 B Cl2 F30 Pt3 '
_cod_database_code               1515691
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_calc_flag
_atom_site_refinement_flags
Pt(1) Pt 0.10694(2) 0.32431(2) 0.40864(2) 0.02064(9) Uani 1.00 d .
Pt(2) Pt -0.02766(2) 0.18592(2) 0.29232(2) 0.02365(9) Uani 1.00 d .
Pt(3) Pt 0.16308(2) 0.30441(2) 0.24330(2) 0.0284(1) Uani 1.00 d .
Cl(1) Cl 0.447(1) 0.3630(10) 0.9522(7) 0.275(5) Uani 1.00 d .
Cl(2) Cl 0.2605(7) 0.3667(5) 0.8839(6) 0.203(3) Uani 1.00 d .
F(1) F -0.0072(4) 0.2831(4) 0.7480(4) 0.054(1) Uani 1.00 d .
F(2) F -0.0007(5) 0.4211(4) 0.8006(3) 0.053(1) Uani 1.00 d .
F(3) F -0.1193(4) 0.3523(4) 0.7020(3) 0.043(1) Uani 1.00 d .
F(4) F 0.350(1) 0.652(1) 0.673(2) 0.075(6) Uani 0.50 d P
F(5) F 0.401(2) 0.563(2) 0.736(1) 0.102(8) Uani 0.50 d P
F(6) F 0.440(1) 0.575(2) 0.611(1) 0.086(6) Uani 0.50 d P
F(7) F 0.9636(5) 0.0644(6) 0.8868(4) 0.075(2) Uani 1.00 d .
F(8) F 1.0737(4) 0.2033(6) 0.8994(5) 0.095(3) Uani 1.00 d .
F(9) F 1.0004(4) 0.1484(4) 1.0038(3) 0.052(1) Uani 1.00 d .
F(10) F 0.8779(9) 0.4339(6) 1.0401(7) 0.142(4) Uani 1.00 d .
F(11) F 0.7066(7) 0.4117(5) 1.0129(5) 0.098(3) Uani 1.00 d .
F(12) F 0.8212(8) 0.4680(5) 0.9289(5) 0.090(2) Uani 1.00 d .
F(13) F 0.1758(3) 0.1543(4) 0.7435(3) 0.044(1) Uani 1.00 d .
F(14) F 0.1926(4) 0.1193(4) 0.6158(3) 0.049(1) Uani 1.00 d .
F(15) F 0.1883(4) 0.2549(4) 0.6605(4) 0.052(1) Uani 1.00 d .
F(16) F 0.5457(4) 0.4132(4) 0.5664(3) 0.050(1) Uani 1.00 d .
F(17) F 0.6917(4) 0.3692(4) 0.5897(4) 0.054(1) Uani 1.00 d .
F(18) F 0.6439(5) 0.4629(4) 0.6791(4) 0.064(2) Uani 1.00 d .
F(19) F 0.1684(4) 0.0143(5) 0.9710(4) 0.068(2) Uani 1.00 d .
F(20) F 0.2885(5) 0.0698(6) 1.0713(3) 0.068(2) Uani 1.00 d .
F(21) F 0.2713(5) 0.1484(5) 0.9765(4) 0.070(2) Uani 1.00 d .
F(22) F 0.4615(6) -0.2180(4) 0.9599(3) 0.058(2) Uani 1.00 d .
F(23) F 0.3252(4) -0.2512(4) 0.8742(5) 0.063(2) Uani 1.00 d .
F(24) F 0.4905(5) -0.2244(4) 0.8329(4) 0.066(2) Uani 1.00 d .
F(25) F 0.3836(4) -0.1657(5) 0.5812(4) 0.071(2) Uani 1.00 d .
F(26) F 0.5170(4) -0.2205(3) 0.5373(4) 0.049(1) Uani 1.00 d .
F(27) F 0.4567(5) -0.1348(4) 0.4676(3) 0.055(1) Uani 1.00 d .
F(28) F 0.8880(4) 0.0185(3) 0.5024(3) 0.038(1) Uani 1.00 d .
F(29) F 0.9449(4) 0.1126(4) 0.6121(3) 0.052(1) Uani 1.00 d .
F(30) F 0.8545(4) 0.1502(3) 0.5147(3) 0.043(1) Uani 1.00 d .
F(31) F 0.438(1) 0.540(1) 0.662(2) 0.096(8) Uani 0.50 d P
F(32) F 0.369(2) 0.638(1) 0.618(1) 0.094(8) Uani 0.50 d P
F(33) F 0.345(1) 0.615(1) 0.736(1) 0.081(5) Uani 0.50 d P
C(1) C 0.0721(7) 0.4381(5) 0.3564(5) 0.037(2) Uani 1.00 d .
C(2) C -0.0253(7) 0.3896(8) 0.3947(5) 0.042(2) Uani 1.00 d .
C(3) C -0.1121(7) 0.3122(7) 0.3563(7) 0.050(3) Uani 1.00 d .
C(4) C -0.1352(7) 0.2760(6) 0.2766(7) 0.047(2) Uani 1.00 d .
C(5) C -0.0667(8) 0.2922(7) 0.2091(6) 0.051(2) Uani 1.00 d .
C(6) C 0.0343(8) 0.3629(8) 0.2050(5) 0.048(2) Uani 1.00 d .
C(7) C 0.0969(7) 0.4254(6) 0.2715(6) 0.043(2) Uani 1.00 d .
C(8) C 0.2319(8) 0.2564(8) 0.4333(6) 0.057(3) Uani 1.00 d .
C(9) C 0.1297(7) 0.1902(6) 0.4349(5) 0.036(2) Uani 1.00 d .
C(10) C 0.0678(6) 0.1221(5) 0.3718(5) 0.033(2) Uani 1.00 d .
C(11) C 0.0948(8) 0.1068(7) 0.2882(6) 0.045(2) Uani 1.00 d .
C(12) C 0.1861(9) 0.1579(9) 0.2482(6) 0.059(3) Uani 1.00 d .
C(13) C 0.2790(9) 0.235(1) 0.2853(10) 0.087(6) Uani 1.00 d .
C(14) C 0.2933(7) 0.2792(8) 0.3650(10) 0.065(4) Uani 1.00 d .
C(15) C -0.1816(7) 0.0737(7) 0.3039(6) 0.049(2) Uani 1.00 d .
C(16) C -0.1552(8) 0.0684(6) 0.2234(6) 0.046(2) Uani 1.00 d .
C(17) C 0.2378(10) 0.3099(8) 0.1200(6) 0.061(3) Uani 1.00 d .
C(18) C 0.2992(8) 0.3848(6) 0.1722(6) 0.048(2) Uani 1.00 d .
C(19) C 0.1345(5) 0.3887(5) 0.5289(4) 0.022(1) Uani 1.00 d .
C(20) C 0.2299(6) 0.4561(5) 0.5558(5) 0.027(1) Uani 1.00 d .
C(21) C 0.2478(6) 0.4961(5) 0.6373(5) 0.029(1) Uani 1.00 d .
C(22) C 0.1704(6) 0.4694(5) 0.6948(5) 0.030(2) Uani 1.00 d .
C(23) C 0.0719(6) 0.4009(5) 0.6687(4) 0.025(1) Uani 1.00 d .
C(24) C 0.0532(6) 0.3615(5) 0.5871(4) 0.025(1) Uani 1.00 d .
C(25) C -0.0131(7) 0.3654(6) 0.7301(5) 0.033(2) Uani 1.00 d .
C(26) C 0.3547(7) 0.5686(6) 0.6646(6) 0.041(2) Uani 1.00 d .
C(27) C 0.6976(5) 0.1785(5) 0.8442(4) 0.023(1) Uani 1.00 d .
C(28) C 0.7896(6) 0.1406(5) 0.8589(4) 0.027(1) Uani 1.00 d .
C(29) C 0.8809(6) 0.1890(6) 0.9109(4) 0.030(2) Uani 1.00 d .
C(30) C 0.8875(6) 0.2763(6) 0.9496(5) 0.036(2) Uani 1.00 d .
C(31) C 0.7976(6) 0.3129(6) 0.9367(5) 0.033(2) Uani 1.00 d .
C(32) C 0.7069(6) 0.2659(6) 0.8853(4) 0.030(2) Uani 1.00 d .
C(33) C 0.9773(6) 0.1506(8) 0.9241(5) 0.044(2) Uani 1.00 d .
C(34) C 0.8010(8) 0.4078(7) 0.9781(6) 0.046(2) Uani 1.00 d .
C(35) C 0.5229(5) 0.1836(5) 0.7445(4) 0.023(1) Uani 1.00 d .
C(36) C 0.4067(5) 0.1628(5) 0.7327(4) 0.022(1) Uani 1.00 d .
C(37) C 0.3542(5) 0.2154(5) 0.6905(4) 0.024(1) Uani 1.00 d .
C(38) C 0.4160(6) 0.2911(5) 0.6574(4) 0.026(1) Uani 1.00 d .
C(39) C 0.5323(5) 0.3094(5) 0.6636(5) 0.026(1) Uani 1.00 d .
C(40) C 0.5846(5) 0.2598(5) 0.7079(4) 0.024(1) Uani 1.00 d .
C(41) C 0.2281(5) 0.1886(5) 0.6804(5) 0.029(2) Uani 1.00 d .
C(42) C 0.6034(7) 0.3888(5) 0.6258(5) 0.036(2) Uani 1.00 d .
C(43) C 0.5039(5) 0.0497(5) 0.8422(4) 0.020(1) Uani 1.00 d .
C(44) C 0.5044(5) -0.0403(5) 0.8442(4) 0.023(1) Uani 1.00 d .
C(45) C 0.4300(5) -0.0975(5) 0.8935(4) 0.021(1) Uani 1.00 d .
C(46) C 0.3582(5) -0.0625(5) 0.9422(4) 0.025(1) Uani 1.00 d .
C(47) C 0.3580(6) 0.0281(5) 0.9424(4) 0.026(1) Uani 1.00 d .
C(48) C 0.4301(5) 0.0825(5) 0.8944(4) 0.023(1) Uani 1.00 d .
C(49) C 0.4284(5) -0.1956(5) 0.8895(4) 0.026(1) Uani 1.00 d .
C(50) C 0.2736(6) 0.0651(6) 0.9909(4) 0.029(2) Uani 1.00 d .
C(51) C 0.6227(5) 0.0595(5) 0.7049(4) 0.023(1) Uani 1.00 d .
C(52) C 0.5446(5) -0.0168(5) 0.6613(4) 0.022(1) Uani 1.00 d .
C(53) C 0.5671(5) -0.0635(5) 0.5882(4) 0.023(1) Uani 1.00 d .
C(54) C 0.6712(5) -0.0346(5) 0.5541(4) 0.022(1) Uani 1.00 d .
C(55) C 0.7490(5) 0.0423(5) 0.5942(4) 0.024(1) Uani 1.00 d .
C(56) C 0.7266(5) 0.0866(5) 0.6681(4) 0.025(1) Uani 1.00 d .
C(57) C 0.4820(5) -0.1451(5) 0.5454(5) 0.028(1) Uani 1.00 d .
C(58) C 0.8587(6) 0.0797(5) 0.5563(5) 0.030(2) Uani 1.00 d .
C(59) C 0.488(1) 0.423(1) 0.867(1) 0.090(5) Uani 1.00 d .
C(60) C 0.398(2) 0.452(1) 0.853(1) 0.127(7) Uani 1.00 d .
B(1) B 0.5886(6) 0.1182(6) 0.7860(5) 0.023(1) Uani 1.00 d .
H(1) H 0.7882 0.0803 0.8313 0.0333 Uiso 1.00 calc .
H(2) H 0.9520 0.3106 0.9844 0.0422 Uiso 1.00 calc .
H(3) H 0.6481 0.2944 0.8771 0.0355 Uiso 1.00 calc .
H(4) H 0.3610 0.1107 0.7542 0.0259 Uiso 1.00 calc .
H(5) H 0.3798 0.3293 0.6313 0.0303 Uiso 1.00 calc .
H(6) H 0.6654 0.2779 0.7141 0.0298 Uiso 1.00 calc .
H(7) H 0.5559 -0.0648 0.8121 0.0274 Uiso 1.00 calc .
H(8) H 0.3084 -0.0997 0.9761 0.0305 Uiso 1.00 calc .
H(9) H 0.4296 0.1455 0.8971 0.0271 Uiso 1.00 calc .
H(10) H 0.4720 -0.0384 0.6829 0.0271 Uiso 1.00 calc .
H(11) H 0.6883 -0.0672 0.5040 0.0264 Uiso 1.00 calc .
H(12) H 0.7845 0.1380 0.6952 0.0290 Uiso 1.00 calc .
H(13) H 0.2861 0.4772 0.5178 0.0323 Uiso 1.00 calc .
H(14) H 0.1837 0.4964 0.7509 0.0338 Uiso 1.00 calc .
H(15) H -0.0165 0.3158 0.5702 0.0296 Uiso 1.00 calc .
H(16) H 0.5546 0.4722 0.8788 0.1055 Uiso 1.00 calc .
H(17) H 0.4994 0.3829 0.8205 0.1055 Uiso 1.00 calc .
H(18) H 0.3922 0.4604 0.7978 0.1505 Uiso 1.00 calc .
H(19) H 0.4082 0.5112 0.8866 0.1505 Uiso 1.00 calc .
H(20) H -0.1621 0.2810 0.3950 0.0593 Uiso 1.00 calc .
H(21) H 0.3549 0.3340 0.3742 0.0776 Uiso 1.00 calc .
H(22) H 0.1271 0.4849 0.3918 0.0444 Uiso 1.00 calc .
H(23) H -0.0330 0.4106 0.4516 0.0508 Uiso 1.00 calc .
H(24) H -0.2084 0.2339 0.2645 0.0590 Uiso 1.00 calc .
H(25) H -0.0913 0.2489 0.1591 0.0608 Uiso 1.00 calc .
H(26) H 0.0632 0.3705 0.1514 0.0575 Uiso 1.00 calc .
H(27) H 0.1668 0.4646 0.2560 0.0521 Uiso 1.00 calc .
H(28) H 0.2624 0.2899 0.4861 0.0669 Uiso 1.00 calc .
H(29) H 0.0949 0.1902 0.4873 0.0434 Uiso 1.00 calc .
H(30) H -0.0001 0.0810 0.3875 0.0395 Uiso 1.00 calc .
H(31) H 0.0429 0.0548 0.2552 0.0533 Uiso 1.00 calc .
H(32) H 0.1890 0.1404 0.1898 0.0702 Uiso 1.00 calc .
H(33) H 0.3375 0.2573 0.2486 0.1091 Uiso 1.00 calc .
H(35) H 0.2611 0.2496 0.0977 0.0912 Uiso 1.00 calc .
H(36) H 0.1809 0.3258 0.0918 0.0912 Uiso 1.00 calc .
H(37) H 0.3610 0.3799 0.2057 0.0604 Uiso 1.00 calc .
H(38) H 0.2818 0.4421 0.1757 0.0604 Uiso 1.00 calc .
H(39) H -0.1637 0.1125 0.1892 0.0558 Uiso 1.00 calc .
H(42) H -0.1268 0.0157 0.2027 0.0912 Uiso 1.00 calc .
H(43) H -0.1749 0.0304 0.3395 0.0599 Uiso 1.00 calc .
H(44) H -0.2090 0.1285 0.3232 0.0912 Uiso 1.00 calc .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.003 0.002
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.000 0.000
;International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
Pt Pt -1.703 8.390
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
B B 0.001 0.001
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
F F 0.017 0.010
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Cl Cl 0.148 0.159
;International Tables for Crystallography
(1992, 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_publ_flag
Pt(2) Pt(1) Pt(3) 58.573(10) yes
Pt(2) Pt(1) C(1) 95.9(2) yes
Pt(2) Pt(1) C(2) 83.5(2) yes
Pt(2) Pt(1) C(8) 97.9(3) yes
Pt(2) Pt(1) C(9) 72.1(2) yes
Pt(2) Pt(1) C(19) 148.7(2) yes
Pt(3) Pt(1) C(1) 73.7(2) yes
Pt(3) Pt(1) C(2) 98.0(2) yes
Pt(3) Pt(1) C(8) 87.2(3) yes
Pt(3) Pt(1) C(9) 95.8(2) yes
Pt(3) Pt(1) C(19) 152.7(2) yes
C(1) Pt(1) C(2) 38.7(3) yes
C(1) Pt(1) C(8) 145.8(3) yes
C(1) Pt(1) C(9) 167.3(3) yes
C(1) Pt(1) C(19) 96.3(3) yes
C(2) Pt(1) C(8) 174.6(4) yes
C(2) Pt(1) C(9) 139.9(3) yes
C(2) Pt(1) C(19) 88.3(3) yes
C(8) Pt(1) C(9) 37.1(3) yes
C(8) Pt(1) C(19) 87.9(3) yes
C(9) Pt(1) C(19) 96.2(3) yes
Pt(1) Pt(2) Pt(3) 60.74(1) yes
Pt(1) Pt(2) C(4) 88.8(2) yes
Pt(1) Pt(2) C(5) 93.6(2) yes
Pt(1) Pt(2) C(10) 71.4(2) yes
Pt(1) Pt(2) C(11) 92.1(2) yes
Pt(1) Pt(2) C(15) 131.9(3) yes
Pt(1) Pt(2) C(16) 167.8(3) yes
Pt(3) Pt(2) C(4) 94.2(2) yes
Pt(3) Pt(2) C(5) 66.3(2) yes
Pt(3) Pt(2) C(10) 94.1(2) yes
Pt(3) Pt(2) C(11) 77.0(2) yes
Pt(3) Pt(2) C(15) 167.2(3) yes
Pt(3) Pt(2) C(16) 131.5(3) yes
C(4) Pt(2) C(5) 35.5(4) yes
C(4) Pt(2) C(10) 151.1(4) yes
C(4) Pt(2) C(11) 169.2(4) yes
C(4) Pt(2) C(15) 88.8(3) yes
C(4) Pt(2) C(16) 90.5(3) yes
C(5) Pt(2) C(10) 159.9(3) yes
C(5) Pt(2) C(11) 133.7(4) yes
C(5) Pt(2) C(15) 111.0(4) yes
C(5) Pt(2) C(16) 92.9(3) yes
C(10) Pt(2) C(11) 37.8(3) yes
C(10) Pt(2) C(15) 89.2(3) yes
C(10) Pt(2) C(16) 104.4(3) yes
C(11) Pt(2) C(15) 98.5(4) yes
C(11) Pt(2) C(16) 90.9(3) yes
C(15) Pt(2) C(16) 35.9(4) yes
Pt(1) Pt(3) Pt(2) 60.69(1) yes
Pt(1) Pt(3) C(6) 92.8(2) yes
Pt(1) Pt(3) C(7) 69.6(3) yes
Pt(1) Pt(3) C(12) 92.9(2) yes
Pt(1) Pt(3) C(13) 84.7(4) yes
Pt(1) Pt(3) C(17) 169.0(3) yes
Pt(1) Pt(3) C(18) 133.3(2) yes
Pt(2) Pt(3) C(6) 78.7(3) yes
Pt(2) Pt(3) C(7) 93.4(2) yes
Pt(2) Pt(3) C(12) 67.9(3) yes
Pt(2) Pt(3) C(13) 95.6(4) yes
Pt(2) Pt(3) C(17) 130.3(3) yes
Pt(2) Pt(3) C(18) 165.6(2) yes
C(6) Pt(3) C(7) 38.1(3) yes
C(6) Pt(3) C(12) 137.6(4) yes
C(6) Pt(3) C(13) 174.3(4) yes
C(6) Pt(3) C(17) 91.0(4) yes
C(6) Pt(3) C(18) 95.8(4) yes
C(7) Pt(3) C(12) 159.4(3) yes
C(7) Pt(3) C(13) 143.9(5) yes
C(7) Pt(3) C(17) 108.0(4) yes
C(7) Pt(3) C(18) 90.2(4) yes
C(12) Pt(3) C(13) 37.8(4) yes
C(12) Pt(3) C(17) 91.2(4) yes
C(12) Pt(3) C(18) 110.1(4) yes
C(13) Pt(3) C(17) 92.4(5) yes
C(13) Pt(3) C(18) 89.6(5) yes
C(17) Pt(3) C(18) 35.8(3) yes
F(32) F(4) F(33) 135(2) yes
F(32) F(4) C(26) 73(1) yes
F(33) F(4) C(26) 62(1) yes
F(31) F(5) F(33) 113(2) yes
F(31) F(5) C(26) 54(1) yes
F(33) F(5) C(26) 62(1) yes
F(31) F(6) F(32) 113(2) yes
F(31) F(6) C(26) 58(1) yes
F(32) F(6) C(26) 57(1) yes
F(5) F(31) F(6) 125(2) yes
F(5) F(31) C(26) 61(1) yes
F(6) F(31) C(26) 73(1) yes
F(4) F(32) F(6) 111(2) yes
F(4) F(32) C(26) 64(1) yes
F(6) F(32) C(26) 58(1) yes
F(4) F(33) F(5) 115(2) yes
F(4) F(33) C(26) 60(1) yes
F(5) F(33) C(26) 64(1) yes
Pt(1) C(1) C(2) 69.8(6) yes
Pt(1) C(1) C(7) 105.8(6) yes
C(2) C(1) C(7) 127.2(7) yes
Pt(1) C(2) C(1) 71.6(5) yes
Pt(1) C(2) C(3) 99.5(7) yes
C(1) C(2) C(3) 126.0(8) yes
C(2) C(3) C(4) 131.2(9) yes
Pt(2) C(4) C(3) 89.0(7) yes
Pt(2) C(4) C(5) 80.2(7) yes
C(3) C(4) C(5) 128.9(8) yes
Pt(2) C(5) C(4) 64.3(6) yes
Pt(2) C(5) C(6) 108.4(7) yes
C(4) C(5) C(6) 128.1(8) yes
Pt(3) C(6) C(5) 103.3(8) yes
Pt(3) C(6) C(7) 73.6(6) yes
C(5) C(6) C(7) 127.1(8) yes
Pt(3) C(7) C(1) 110.8(7) yes
Pt(3) C(7) C(6) 68.3(6) yes
C(1) C(7) C(6) 130.1(7) yes
Pt(1) C(8) C(9) 75.4(6) yes
Pt(1) C(8) C(14) 95.1(8) yes
C(9) C(8) C(14) 127.3(9) yes
Pt(1) C(9) C(8) 67.5(6) yes
Pt(1) C(9) C(10) 107.0(6) yes
C(8) C(9) C(10) 130.5(8) yes
Pt(2) C(10) C(9) 109.2(6) yes
Pt(2) C(10) C(11) 68.9(6) yes
C(9) C(10) C(11) 127.8(7) yes
Pt(2) C(11) C(10) 73.3(6) yes
Pt(2) C(11) C(12) 104.5(8) yes
C(10) C(11) C(12) 128.0(8) yes
Pt(3) C(12) C(11) 108.7(9) yes
Pt(3) C(12) C(13) 63.8(9) yes
C(11) C(12) C(13) 127.2(10) yes
Pt(3) C(13) C(12) 78.3(8) yes
Pt(3) C(13) C(14) 96.3(10) yes
C(12) C(13) C(14) 128(1) yes
C(8) C(14) C(13) 129.8(9) yes
Pt(2) C(15) C(16) 72.0(5) yes
Pt(2) C(16) C(15) 72.1(5) yes
Pt(3) C(17) C(18) 71.9(6) yes
Pt(3) C(18) C(17) 72.3(6) yes
Pt(1) C(19) C(20) 122.9(5) yes
Pt(1) C(19) C(24) 119.8(4) yes
C(20) C(19) C(24) 117.3(6) yes
C(19) C(20) C(21) 121.8(7) yes
C(20) C(21) C(22) 121.6(6) yes
C(20) C(21) C(26) 120.1(7) yes
C(22) C(21) C(26) 118.3(7) yes
C(21) C(22) C(23) 117.6(7) yes
C(22) C(23) C(24) 120.9(6) yes
C(22) C(23) C(25) 119.8(6) yes
C(24) C(23) C(25) 119.2(6) yes
C(19) C(24) C(23) 120.8(6) yes
F(1) C(25) F(2) 107.3(7) yes
F(1) C(25) F(3) 105.3(6) yes
F(1) C(25) C(23) 111.6(7) yes
F(2) C(25) F(3) 106.4(7) yes
F(2) C(25) C(23) 113.3(6) yes
F(3) C(25) C(23) 112.4(7) yes
F(4) C(26) F(5) 102(1) yes
F(4) C(26) F(6) 99(1) yes
F(4) C(26) F(31) 128(1) yes
F(4) C(26) F(32) 42(1) yes
F(4) C(26) F(33) 56(1) yes
F(4) C(26) C(21) 116.9(10) yes
F(5) C(26) F(6) 105(1) yes
F(5) C(26) F(31) 63(1) yes
F(5) C(26) F(32) 132(1) yes
F(5) C(26) F(33) 53(1) yes
F(5) C(26) C(21) 115(1) yes
F(6) C(26) F(31) 47(1) yes
F(6) C(26) F(32) 64(1) yes
F(6) C(26) F(33) 133(1) yes
F(6) C(26) C(21) 115.3(10) yes
F(31) C(26) F(32) 109(1) yes
F(31) C(26) F(33) 113(1) yes
F(31) C(26) C(21) 113(1) yes
F(32) C(26) F(33) 98(1) yes
F(32) C(26) C(21) 109(1) yes
F(33) C(26) C(21) 111.5(9) yes
C(28) C(27) C(32) 115.7(6) yes
C(28) C(27) B(1) 120.1(6) yes
C(32) C(27) B(1) 124.2(7) yes
C(27) C(28) C(29) 121.2(7) yes
C(28) C(29) C(30) 121.1(8) yes
C(28) C(29) C(33) 121.0(8) yes
C(30) C(29) C(33) 117.8(6) yes
C(29) C(30) C(31) 118.0(6) yes
C(30) C(31) C(32) 121.4(8) yes
C(30) C(31) C(34) 119.7(7) yes
C(32) C(31) C(34) 118.9(8) yes
C(27) C(32) C(31) 122.6(8) yes
F(7) C(33) F(8) 107.8(8) yes
F(7) C(33) F(9) 105.8(9) yes
F(7) C(33) C(29) 114.5(6) yes
F(8) C(33) F(9) 103.6(6) yes
F(8) C(33) C(29) 111.4(9) yes
F(9) C(33) C(29) 112.9(7) yes
F(10) C(34) F(11) 103.7(9) yes
F(10) C(34) F(12) 109.1(8) yes
F(10) C(34) C(31) 110.8(9) yes
F(11) C(34) F(12) 106.9(10) yes
F(11) C(34) C(31) 113.0(7) yes
F(12) C(34) C(31) 113.0(8) yes
C(36) C(35) C(40) 115.1(7) yes
C(36) C(35) B(1) 123.8(6) yes
C(40) C(35) B(1) 120.5(6) yes
C(35) C(36) C(37) 122.3(6) yes
C(36) C(37) C(38) 121.5(6) yes
C(36) C(37) C(41) 119.1(6) yes
C(38) C(37) C(41) 119.3(7) yes
C(37) C(38) C(39) 117.1(7) yes
C(38) C(39) C(40) 121.4(6) yes
C(38) C(39) C(42) 119.2(7) yes
C(40) C(39) C(42) 119.3(6) yes
C(35) C(40) C(39) 122.3(6) yes
F(13) C(41) F(14) 104.2(6) yes
F(13) C(41) F(15) 110.3(6) yes
F(13) C(41) C(37) 114.4(6) yes
F(14) C(41) F(15) 104.3(6) yes
F(14) C(41) C(37) 109.9(6) yes
F(15) C(41) C(37) 112.9(6) yes
F(16) C(42) F(17) 105.3(7) yes
F(16) C(42) F(18) 106.9(7) yes
F(16) C(42) C(39) 112.2(6) yes
F(17) C(42) F(18) 106.4(6) yes
F(17) C(42) C(39) 112.2(7) yes
F(18) C(42) C(39) 113.3(7) yes
C(44) C(43) C(48) 116.2(6) yes
C(44) C(43) B(1) 123.1(6) yes
C(48) C(43) B(1) 120.6(6) yes
C(43) C(44) C(45) 121.6(6) yes
C(44) C(45) C(46) 119.8(7) yes
C(44) C(45) C(49) 119.6(6) yes
C(46) C(45) C(49) 120.6(6) yes
C(45) C(46) C(47) 119.5(6) yes
C(46) C(47) C(48) 120.1(7) yes
C(46) C(47) C(50) 119.9(6) yes
C(48) C(47) C(50) 119.9(7) yes
C(43) C(48) C(47) 122.8(7) yes
F(22) C(49) F(23) 103.3(6) yes
F(22) C(49) F(24) 105.8(7) yes
F(22) C(49) C(45) 113.8(6) yes
F(23) C(49) F(24) 105.4(6) yes
F(23) C(49) C(45) 112.3(6) yes
F(24) C(49) C(45) 115.1(6) yes
F(19) C(50) F(20) 106.9(6) yes
F(19) C(50) F(21) 103.5(7) yes
F(19) C(50) C(47) 111.5(6) yes
F(20) C(50) F(21) 106.5(7) yes
F(20) C(50) C(47) 114.0(7) yes
F(21) C(50) C(47) 113.7(6) yes
C(52) C(51) C(56) 114.6(6) yes
C(52) C(51) B(1) 121.8(5) yes
C(56) C(51) B(1) 123.2(5) yes
C(51) C(52) C(53) 123.6(6) yes
C(52) C(53) C(54) 119.9(5) yes
C(52) C(53) C(57) 121.4(6) yes
C(54) C(53) C(57) 118.7(6) yes
C(53) C(54) C(55) 117.9(6) yes
C(54) C(55) C(56) 121.5(6) yes
C(54) C(55) C(58) 119.6(6) yes
C(56) C(55) C(58) 118.9(5) yes
C(51) C(56) C(55) 122.3(5) yes
F(25) C(57) F(26) 106.5(6) yes
F(25) C(57) F(27) 105.4(6) yes
F(25) C(57) C(53) 114.4(6) yes
F(26) C(57) F(27) 104.1(6) yes
F(26) C(57) C(53) 113.3(6) yes
F(27) C(57) C(53) 112.4(6) yes
F(28) C(58) F(29) 106.7(6) yes
F(28) C(58) F(30) 105.9(6) yes
F(28) C(58) C(55) 113.6(6) yes
F(29) C(58) F(30) 106.3(6) yes
F(29) C(58) C(55) 112.6(6) yes
F(30) C(58) C(55) 111.3(7) yes
Cl(1) C(59) C(60) 101(1) yes
Cl(2) C(60) C(59) 111(1) yes
C(27) B(1) C(35) 111.8(6) yes
C(27) B(1) C(43) 107.9(5) yes
C(27) B(1) C(51) 113.1(5) yes
C(35) B(1) C(43) 111.3(6) yes
C(35) B(1) C(51) 101.8(5) yes
C(43) B(1) C(51) 110.8(6) yes
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Pt(1) Pt(2) 2.8157(4) yes
Pt(1) Pt(3) 2.8170(5) yes
Pt(1) C(1) 2.172(9) yes
Pt(1) C(2) 2.15(1) yes
Pt(1) C(8) 2.14(1) yes
Pt(1) C(9) 2.236(10) yes
Pt(1) C(19) 2.080(6) yes
Pt(2) Pt(3) 2.7554(4) yes
Pt(2) C(4) 2.18(1) yes
Pt(2) C(5) 2.39(1) yes
Pt(2) C(10) 2.225(9) yes
Pt(2) C(11) 2.17(1) yes
Pt(2) C(15) 2.220(8) yes
Pt(2) C(16) 2.219(8) yes
Pt(3) C(6) 2.14(1) yes
Pt(3) C(7) 2.214(9) yes
Pt(3) C(12) 2.34(1) yes
Pt(3) C(13) 2.15(2) yes
Pt(3) C(17) 2.24(1) yes
Pt(3) C(18) 2.236(9) yes
Cl(1) C(59) 1.77(2) yes
Cl(2) C(60) 1.96(2) yes
F(1) C(25) 1.35(1) yes
F(2) C(25) 1.332(9) yes
F(3) C(25) 1.338(9) yes
F(4) F(32) 0.96(4) yes
F(4) F(33) 1.23(4) yes
F(4) C(26) 1.28(2) yes
F(5) F(31) 1.35(4) yes
F(5) F(33) 1.18(4) yes
F(5) C(26) 1.33(2) yes
F(6) F(31) 1.05(4) yes
F(6) F(32) 1.46(3) yes
F(6) C(26) 1.38(2) yes
F(7) C(33) 1.35(1) yes
F(8) C(33) 1.35(1) yes
F(9) C(33) 1.35(1) yes
F(10) C(34) 1.33(1) yes
F(11) C(34) 1.31(1) yes
F(12) C(34) 1.28(1) yes
F(13) C(41) 1.320(9) yes
F(14) C(41) 1.380(9) yes
F(15) C(41) 1.31(1) yes
F(16) C(42) 1.35(1) yes
F(17) C(42) 1.33(1) yes
F(18) C(42) 1.319(9) yes
F(19) C(50) 1.334(8) yes
F(20) C(50) 1.324(9) yes
F(21) C(50) 1.33(1) yes
F(22) C(49) 1.339(10) yes
F(23) C(49) 1.328(7) yes
F(24) C(49) 1.319(10) yes
F(25) C(57) 1.332(9) yes
F(26) C(57) 1.327(10) yes
F(27) C(57) 1.354(10) yes
F(28) C(58) 1.332(9) yes
F(29) C(58) 1.343(8) yes
F(30) C(58) 1.36(1) yes
F(31) C(26) 1.22(2) yes
F(32) C(26) 1.37(3) yes
F(33) C(26) 1.31(2) yes
C(1) C(2) 1.43(1) yes
C(1) C(7) 1.44(1) yes
C(2) C(3) 1.44(1) yes
C(3) C(4) 1.36(2) yes
C(4) C(5) 1.41(1) yes
C(5) C(6) 1.42(1) yes
C(6) C(7) 1.42(1) yes
C(8) C(9) 1.39(1) yes
C(8) C(14) 1.39(2) yes
C(9) C(10) 1.43(1) yes
C(10) C(11) 1.43(1) yes
C(11) C(12) 1.41(1) yes
C(12) C(13) 1.47(2) yes
C(13) C(14) 1.38(2) yes
C(15) C(16) 1.37(1) yes
C(17) C(18) 1.38(1) yes
C(19) C(20) 1.367(9) yes
C(19) C(24) 1.411(10) yes
C(20) C(21) 1.39(1) yes
C(21) C(22) 1.37(1) yes
C(21) C(26) 1.499(10) yes
C(22) C(23) 1.397(9) yes
C(23) C(24) 1.390(10) yes
C(23) C(25) 1.51(1) yes
C(27) C(28) 1.43(1) yes
C(27) C(32) 1.40(1) yes
C(27) B(1) 1.630(9) yes
C(28) C(29) 1.386(9) yes
C(29) C(30) 1.39(1) yes
C(29) C(33) 1.48(1) yes
C(30) C(31) 1.39(1) yes
C(31) C(32) 1.370(9) yes
C(31) C(34) 1.51(1) yes
C(35) C(36) 1.387(9) yes
C(35) C(40) 1.418(10) yes
C(35) B(1) 1.65(1) yes
C(36) C(37) 1.40(1) yes
C(37) C(38) 1.383(10) yes
C(37) C(41) 1.499(9) yes
C(38) C(39) 1.384(9) yes
C(39) C(40) 1.38(1) yes
C(39) C(42) 1.50(1) yes
C(43) C(44) 1.38(1) yes
C(43) C(48) 1.403(10) yes
C(43) B(1) 1.651(10) yes
C(44) C(45) 1.426(9) yes
C(45) C(46) 1.37(1) yes
C(45) C(49) 1.49(1) yes
C(46) C(47) 1.38(1) yes
C(47) C(48) 1.377(10) yes
C(47) C(50) 1.50(1) yes
C(51) C(52) 1.405(8) yes
C(51) C(56) 1.404(9) yes
C(51) B(1) 1.64(1) yes
C(52) C(53) 1.390(10) yes
C(53) C(54) 1.390(9) yes
C(53) C(57) 1.489(9) yes
C(54) C(55) 1.387(8) yes
C(55) C(56) 1.386(10) yes
C(55) C(58) 1.497(9) yes
C(59) C(60) 1.33(3) yes
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_2
Pt(1) Pt(2) 2.8157(4) .
Pt(1) Pt(3) 2.8170(5) .
Pt(2) Pt(3) 2.7554(4) .
Cl(1) F(22) 3.22(2) 2_657
Cl(2) F(8) 2.950(10) 1_455
Cl(2) F(11) 3.51(1) 2_667
F(1) F(29) 3.136(8) 1_455
F(1) F(8) 3.17(1) 1_455
F(1) C(29) 3.343(9) 1_455
F(1) C(28) 3.542(9) 1_455
F(1) C(30) 3.583(10) 1_455
F(2) F(12) 3.22(1) 1_455
F(2) C(7) 3.24(1) 2_566
F(2) F(10) 3.28(1) 2_667
F(2) C(6) 3.45(1) 2_566
F(2) C(30) 3.56(1) 1_455
F(2) C(31) 3.579(9) 1_455
F(3) F(17) 3.041(8) 1_455
F(3) C(7) 3.31(1) 2_566
F(3) C(1) 3.37(1) 2_566
F(3) C(40) 3.550(7) 1_455
F(4) C(3) 3.16(2) 2_566
F(4) C(4) 3.20(2) 2_566
F(4) F(24) 3.22(2) 1_565
F(4) F(25) 3.27(2) 1_565
F(4) F(26) 3.48(2) 1_565
F(4) F(23) 3.50(3) 1_565
F(5) F(24) 3.33(2) 1_565
F(6) F(16) 2.95(2) 2_666
F(6) F(26) 3.39(2) 1_565
F(6) C(14) 3.42(2) 2_666
F(7) F(19) 3.055(9) 2_657
F(7) F(19) 3.177(10) 1_655
F(7) F(20) 3.367(8) 2_657
F(7) C(11) 3.57(1) 2_656
F(8) F(13) 2.972(9) 1_655
F(8) F(21) 3.09(1) 1_655
F(9) F(19) 2.864(8) 2_657
F(9) F(19) 3.285(10) 1_655
F(9) F(21) 3.373(9) 1_655
F(10) F(10) 3.52(2) 2_767
F(11) F(23) 3.21(1) 2_657
F(11) F(22) 3.216(9) 2_657
F(11) C(60) 3.35(2) 2_667
F(12) C(18) 3.56(1) 2_666
F(13) F(29) 3.422(6) 1_455
F(13) C(16) 3.46(1) 2_556
F(13) C(15) 3.50(1) 2_556
F(14) F(28) 2.649(7) 2_656
F(14) F(29) 3.025(7) 1_455
F(14) C(15) 3.35(1) 2_556
F(14) C(54) 3.561(9) 2_656
F(15) F(29) 3.221(6) 1_455
F(16) F(26) 3.111(7) 2_656
F(16) F(32) 3.29(2) 2_666
F(17) F(26) 3.423(7) 2_656
F(17) F(32) 3.47(3) 2_666
F(17) C(1) 3.553(8) 2_666
F(17) F(27) 3.563(7) 2_656
F(18) C(18) 3.09(1) 2_666
F(18) C(7) 3.232(9) 2_666
F(18) C(1) 3.508(10) 2_666
F(19) C(16) 3.28(1) 2_556
F(19) C(33) 3.36(1) 2_657
F(20) C(44) 3.055(10) 2_657
F(20) F(24) 3.318(8) 2_657
F(20) F(22) 3.388(8) 2_657
F(20) C(45) 3.412(9) 2_657
F(20) C(28) 3.45(1) 2_657
F(20) C(12) 3.45(1) 1_556
F(20) C(49) 3.511(8) 2_657
F(21) F(22) 3.291(9) 2_657
F(21) C(17) 3.31(1) 1_556
F(22) C(48) 3.005(8) 2_657
F(22) C(32) 3.334(9) 2_657
F(22) C(47) 3.355(8) 2_657
F(22) C(50) 3.486(8) 2_657
F(23) F(33) 2.93(2) 1_545
F(23) C(4) 3.31(1) 2_556
F(23) C(5) 3.32(1) 2_556
F(24) F(33) 2.90(2) 1_545
F(24) C(13) 3.49(1) 2_656
F(25) F(32) 3.09(2) 1_545
F(25) F(30) 3.392(8) 2_656
F(26) F(32) 2.90(2) 1_545
F(26) C(14) 3.20(1) 2_656
F(26) C(8) 3.32(1) 2_656
F(26) C(39) 3.398(9) 2_656
F(26) C(38) 3.435(9) 2_656
F(26) C(42) 3.488(9) 2_656
F(27) C(40) 3.214(8) 2_656
F(27) C(39) 3.251(9) 2_656
F(27) C(52) 3.337(9) 2_656
F(27) C(53) 3.360(10) 2_656
F(27) C(55) 3.42(1) 2_656
F(27) C(51) 3.423(9) 2_656
F(27) C(54) 3.42(1) 2_656
F(27) C(56) 3.438(10) 2_656
F(27) C(35) 3.506(8) 2_656
F(28) F(28) 2.961(10) 2_756
F(28) C(10) 3.31(1) 2_656
F(28) C(10) 3.336(9) 1_655
F(28) C(9) 3.43(1) 2_656
F(29) C(41) 3.492(8) 1_655
F(29) C(10) 3.59(1) 2_656
F(30) C(15) 3.50(1) 1_655
F(30) C(24) 3.548(7) 1_655
F(30) C(9) 3.577(9) 1_655
F(32) C(3) 3.46(3) 2_566
F(32) C(57) 3.59(2) 1_565
F(33) C(4) 3.45(2) 2_566
F(33) C(49) 3.52(2) 1_565
C(1) C(23) 3.46(1) 2_566
C(2) C(22) 3.58(1) 2_566
C(16) C(47) 3.57(1) 2_556
C(18) C(59) 3.51(2) 2_666
C(45) C(47) 3.588(9) 2_657
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_publ_flag
Pt(1) Pt(2) Pt(3) C(6) -99.7(2) yes
Pt(1) Pt(2) Pt(3) C(7) -64.3(3) yes
Pt(1) Pt(2) Pt(3) C(12) 107.0(2) yes
Pt(1) Pt(2) Pt(3) C(13) 80.7(4) yes
Pt(1) Pt(2) Pt(3) C(17) 178.7(4) yes
Pt(1) Pt(2) Pt(3) C(18) -168(1) yes
Pt(1) Pt(2) C(4) C(3) -31.9(5) yes
Pt(1) Pt(2) C(4) C(5) 97.9(5) yes
Pt(1) Pt(2) C(5) C(4) -82.8(5) yes
Pt(1) Pt(2) C(5) C(6) 41.3(7) yes
Pt(1) Pt(2) C(10) C(9) 4.4(5) yes
Pt(1) Pt(2) C(10) C(11) -119.8(4) yes
Pt(1) Pt(2) C(11) C(10) 55.4(4) yes
Pt(1) Pt(2) C(11) C(12) -70.5(6) yes
Pt(1) Pt(2) C(15) C(16) 179.8(5) yes
Pt(1) Pt(2) C(16) C(15) 0(1) yes
Pt(1) Pt(3) Pt(2) C(4) 86.2(3) yes
Pt(1) Pt(3) Pt(2) C(5) 108.9(3) yes
Pt(1) Pt(3) Pt(2) C(10) -66.0(2) yes
Pt(1) Pt(3) Pt(2) C(11) -100.0(2) yes
Pt(1) Pt(3) Pt(2) C(15) -170(1) yes
Pt(1) Pt(3) Pt(2) C(16) -179.4(4) yes
Pt(1) Pt(3) C(6) C(5) -74.0(6) yes
Pt(1) Pt(3) C(6) C(7) 51.1(5) yes
Pt(1) Pt(3) C(7) C(1) 2.2(4) yes
Pt(1) Pt(3) C(7) C(6) -123.9(5) yes
Pt(1) Pt(3) C(12) C(11) 45.5(6) yes
Pt(1) Pt(3) C(12) C(13) -77.5(7) yes
Pt(1) Pt(3) C(13) C(12) 101.7(7) yes
Pt(1) Pt(3) C(13) C(14) -26.6(7) yes
Pt(1) Pt(3) C(17) C(18) -11(2) yes
Pt(1) Pt(3) C(18) C(17) 177.0(6) yes
Pt(1) C(1) C(2) C(3) -88(1) yes
Pt(1) C(1) C(7) Pt(3) -2.8(5) yes
Pt(1) C(1) C(7) C(6) 75(1) yes
Pt(1) C(2) C(1) C(7) 94.9(10) yes
Pt(1) C(2) C(3) C(4) -86(1) yes
Pt(1) C(8) C(9) C(10) 93(1) yes
Pt(1) C(8) C(14) C(13) -86(1) yes
Pt(1) C(9) C(8) C(14) -85(1) yes
Pt(1) C(9) C(10) Pt(2) -5.5(6) yes
Pt(1) C(9) C(10) C(11) 72(1) yes
Pt(1) C(19) C(20) C(21) -177.9(6) yes
Pt(1) C(19) C(24) C(23) 177.3(6) yes
Pt(2) Pt(1) Pt(3) C(6) 75.4(3) yes
Pt(2) Pt(1) Pt(3) C(7) 106.3(2) yes
Pt(2) Pt(1) Pt(3) C(12) -62.5(3) yes
Pt(2) Pt(1) Pt(3) C(13) -99.5(4) yes
Pt(2) Pt(1) Pt(3) C(17) -174(1) yes
Pt(2) Pt(1) Pt(3) C(18) 176.0(4) yes
Pt(2) Pt(1) C(1) C(2) 71.7(4) yes
Pt(2) Pt(1) C(1) C(7) -52.6(5) yes
Pt(2) Pt(1) C(2) C(1) -108.1(4) yes
Pt(2) Pt(1) C(2) C(3) 16.9(6) yes
Pt(2) Pt(1) C(8) C(9) -45.8(5) yes
Pt(2) Pt(1) C(8) C(14) 81.4(6) yes
Pt(2) Pt(1) C(9) C(8) 131.7(6) yes
Pt(2) Pt(1) C(9) C(10) 4.3(5) yes
Pt(2) Pt(1) C(19) C(20) 173.8(5) yes
Pt(2) Pt(1) C(19) C(24) -5.0(9) yes
Pt(2) Pt(3) Pt(1) C(1) -107.7(2) yes
Pt(2) Pt(3) Pt(1) C(2) -77.3(2) yes
Pt(2) Pt(3) Pt(1) C(8) 101.0(3) yes
Pt(2) Pt(3) Pt(1) C(9) 64.9(2) yes
Pt(2) Pt(3) Pt(1) C(19) -179.2(5) yes
Pt(2) Pt(3) C(6) C(5) -14.7(5) yes
Pt(2) Pt(3) C(6) C(7) 110.5(5) yes
Pt(2) Pt(3) C(7) C(1) 59.2(5) yes
Pt(2) Pt(3) C(7) C(6) -66.9(5) yes
Pt(2) Pt(3) C(12) C(11) -11.1(5) yes
Pt(2) Pt(3) C(12) C(13) -134.1(8) yes
Pt(2) Pt(3) C(13) C(12) 41.9(7) yes
Pt(2) Pt(3) C(13) C(14) -86.4(7) yes
Pt(2) Pt(3) C(17) C(18) 174.5(5) yes
Pt(2) Pt(3) C(18) C(17) -17(1) yes
Pt(2) C(4) C(3) C(2) 91(1) yes
Pt(2) C(4) C(5) C(6) -93(1) yes
Pt(2) C(5) C(4) C(3) 80(1) yes
Pt(2) C(5) C(6) Pt(3) 17.6(7) yes
Pt(2) C(5) C(6) C(7) -61(1) yes
Pt(2) C(10) C(9) C(8) -80(1) yes
Pt(2) C(10) C(11) C(12) 95(1) yes
Pt(2) C(11) C(10) C(9) -98.4(10) yes
Pt(2) C(11) C(12) Pt(3) 13.6(6) yes
Pt(2) C(11) C(12) C(13) 84(1) yes
Pt(3) Pt(1) Pt(2) C(4) -95.5(3) yes
Pt(3) Pt(1) Pt(2) C(5) -60.2(2) yes
Pt(3) Pt(1) Pt(2) C(10) 106.0(2) yes
Pt(3) Pt(1) Pt(2) C(11) 73.8(3) yes
Pt(3) Pt(1) Pt(2) C(15) 177.2(4) yes
Pt(3) Pt(1) Pt(2) C(16) 177(1) yes
Pt(3) Pt(1) C(1) C(2) 126.5(5) yes
Pt(3) Pt(1) C(1) C(7) 2.2(4) yes
Pt(3) Pt(1) C(2) C(1) -51.1(4) yes
Pt(3) Pt(1) C(2) C(3) 73.8(6) yes
Pt(3) Pt(1) C(8) C(9) -103.5(5) yes
Pt(3) Pt(1) C(8) C(14) 23.7(6) yes
Pt(3) Pt(1) C(9) C(8) 77.4(5) yes
Pt(3) Pt(1) C(9) C(10) -50.0(5) yes
Pt(3) Pt(1) C(19) C(20) -7(1) yes
Pt(3) Pt(1) C(19) C(24) 173.8(4) yes
Pt(3) Pt(2) Pt(1) C(1) 66.8(2) yes
Pt(3) Pt(2) Pt(1) C(2) 103.5(2) yes
Pt(3) Pt(2) Pt(1) C(8) -81.8(3) yes
Pt(3) Pt(2) Pt(1) C(9) -108.8(2) yes
Pt(3) Pt(2) Pt(1) C(19) 179.3(4) yes
Pt(3) Pt(2) C(4) C(3) -92.4(5) yes
Pt(3) Pt(2) C(4) C(5) 37.4(5) yes
Pt(3) Pt(2) C(5) C(4) -138.6(5) yes
Pt(3) Pt(2) C(5) C(6) -14.4(6) yes
Pt(3) Pt(2) C(10) C(9) 61.6(5) yes
Pt(3) Pt(2) C(10) C(11) -62.5(4) yes
Pt(3) Pt(2) C(11) C(10) 114.7(4) yes
Pt(3) Pt(2) C(11) C(12) -11.2(5) yes
Pt(3) Pt(2) C(15) C(16) -11(1) yes
Pt(3) Pt(2) C(16) C(15) 176.7(5) yes
Pt(3) C(6) C(5) C(4) 88(1) yes
Pt(3) C(6) C(7) C(1) -99(1) yes
Pt(3) C(7) C(1) C(2) -79(1) yes
Pt(3) C(7) C(6) C(5) 94(1) yes
Pt(3) C(12) C(11) C(10) -66(1) yes
Pt(3) C(12) C(13) C(14) 88(1) yes
Pt(3) C(13) C(12) C(11) -94(1) yes
Pt(3) C(13) C(14) C(8) 88(1) yes
Cl(1) C(59) C(60) Cl(2) -30(1) yes
F(1) C(25) C(23) C(22) -103.3(8) yes
F(1) C(25) C(23) C(24) 73.7(9) yes
F(2) C(25) C(23) C(22) 18(1) yes
F(2) C(25) C(23) C(24) -165.0(8) yes
F(3) C(25) C(23) C(22) 138.7(8) yes
F(3) C(25) C(23) C(24) -44(1) yes
F(4) F(32) F(6) F(31) 18(2) yes
F(4) F(32) F(6) C(26) 36(1) yes
F(4) F(32) C(26) F(5) -54(2) yes
F(4) F(32) C(26) F(6) -141(1) yes
F(4) F(32) C(26) F(31) -126(1) yes
F(4) F(32) C(26) F(33) -7(1) yes
F(4) F(32) C(26) C(21) 108(1) yes
F(4) F(33) F(5) F(31) -13(2) yes
F(4) F(33) F(5) C(26) -34(1) yes
F(4) F(33) C(26) F(5) 144(1) yes
F(4) F(33) C(26) F(6) 69(2) yes
F(4) F(33) C(26) F(31) 121(1) yes
F(4) F(33) C(26) F(32) 6(1) yes
F(4) F(33) C(26) C(21) -108(1) yes
F(4) C(26) F(5) F(31) -127(1) yes
F(4) C(26) F(5) F(33) 29(1) yes
F(4) C(26) F(6) F(31) 135(1) yes
F(4) C(26) F(6) F(32) -24(1) yes
F(4) C(26) F(31) F(5) 85(2) yes
F(4) C(26) F(31) F(6) -62(2) yes
F(4) C(26) F(32) F(6) 141(1) yes
F(4) C(26) F(33) F(5) -144(1) yes
F(4) C(26) C(21) C(20) 100(1) yes
F(4) C(26) C(21) C(22) -80(1) yes
F(5) F(31) F(6) F(32) -17(2) yes
F(5) F(31) F(6) C(26) -35(1) yes
F(5) F(31) C(26) F(6) 147(1) yes
F(5) F(31) C(26) F(32) 128(1) yes
F(5) F(31) C(26) F(33) 19(1) yes
F(5) F(31) C(26) C(21) -108(1) yes
F(5) F(33) F(4) F(32) 22(3) yes
F(5) F(33) F(4) C(26) 35(1) yes
F(5) F(33) C(26) F(6) -75(2) yes
F(5) F(33) C(26) F(31) -22(1) yes
F(5) F(33) C(26) F(32) -137(1) yes
F(5) F(33) C(26) C(21) 106(1) yes
F(5) C(26) F(4) F(32) 142(1) yes
F(5) C(26) F(4) F(33) -28(1) yes
F(5) C(26) F(6) F(31) 29(1) yes
F(5) C(26) F(6) F(32) -130(1) yes
F(5) C(26) F(31) F(6) -147(1) yes
F(5) C(26) F(32) F(6) 87(2) yes
F(5) C(26) C(21) C(20) -138(1) yes
F(5) C(26) C(21) C(22) 40(1) yes
F(6) F(31) F(5) F(33) 17(2) yes
F(6) F(31) F(5) C(26) 39(1) yes
F(6) F(31) C(26) F(32) -18(1) yes
F(6) F(31) C(26) F(33) -127(1) yes
F(6) F(31) C(26) C(21) 103(1) yes
F(6) F(32) F(4) F(33) -22(3) yes
F(6) F(32) F(4) C(26) -34(1) yes
F(6) F(32) C(26) F(31) 15(1) yes
F(6) F(32) C(26) F(33) 133(1) yes
F(6) F(32) C(26) C(21) -109(1) yes
F(6) C(26) F(4) F(32) 34(1) yes
F(6) C(26) F(4) F(33) -136(1) yes
F(6) C(26) F(5) F(31) -23(1) yes
F(6) C(26) F(5) F(33) 133(1) yes
F(6) C(26) C(21) C(20) -15(1) yes
F(6) C(26) C(21) C(22) 163(1) yes
F(7) C(33) C(29) C(28) -4(1) yes
F(7) C(33) C(29) C(30) 178.0(7) yes
F(8) C(33) C(29) C(28) 118.1(8) yes
F(8) C(33) C(29) C(30) -59.3(9) yes
F(9) C(33) C(29) C(28) -125.8(8) yes
F(9) C(33) C(29) C(30) 56(1) yes
F(10) C(34) C(31) C(30) -17(1) yes
F(10) C(34) C(31) C(32) 164.4(8) yes
F(11) C(34) C(31) C(30) -133.2(9) yes
F(11) C(34) C(31) C(32) 48(1) yes
F(12) C(34) C(31) C(30) 105.3(10) yes
F(12) C(34) C(31) C(32) -72(1) yes
F(13) C(41) C(37) C(36) 35.4(10) yes
F(13) C(41) C(37) C(38) -145.1(7) yes
F(14) C(41) C(37) C(36) -81.4(8) yes
F(14) C(41) C(37) C(38) 98.1(8) yes
F(15) C(41) C(37) C(36) 162.6(6) yes
F(15) C(41) C(37) C(38) -17.9(10) yes
F(16) C(42) C(39) C(38) -21.8(10) yes
F(16) C(42) C(39) C(40) 162.0(7) yes
F(17) C(42) C(39) C(38) -140.1(7) yes
F(17) C(42) C(39) C(40) 43.7(9) yes
F(18) C(42) C(39) C(38) 99.3(9) yes
F(18) C(42) C(39) C(40) -76.9(10) yes
F(19) C(50) C(47) C(46) -54.1(9) yes
F(19) C(50) C(47) C(48) 121.8(7) yes
F(20) C(50) C(47) C(46) 67.0(8) yes
F(20) C(50) C(47) C(48) -117.0(8) yes
F(21) C(50) C(47) C(46) -170.6(6) yes
F(21) C(50) C(47) C(48) 5.3(9) yes
F(22) C(49) C(45) C(44) 116.2(7) yes
F(22) C(49) C(45) C(46) -66.0(8) yes
F(23) C(49) C(45) C(44) -126.8(7) yes
F(23) C(49) C(45) C(46) 51.0(9) yes
F(24) C(49) C(45) C(44) -6.2(9) yes
F(24) C(49) C(45) C(46) 171.6(6) yes
F(25) C(57) C(53) C(52) 2(1) yes
F(25) C(57) C(53) C(54) -177.8(7) yes
F(26) C(57) C(53) C(52) -119.5(8) yes
F(26) C(57) C(53) C(54) 59.9(10) yes
F(27) C(57) C(53) C(52) 122.9(8) yes
F(27) C(57) C(53) C(54) -57.7(10) yes
F(28) C(58) C(55) C(54) -22(1) yes
F(28) C(58) C(55) C(56) 159.0(7) yes
F(29) C(58) C(55) C(54) -143.6(8) yes
F(29) C(58) C(55) C(56) 37(1) yes
F(30) C(58) C(55) C(54) 97.1(8) yes
F(30) C(58) C(55) C(56) -81.7(8) yes
F(31) F(5) F(33) C(26) 20(1) yes
F(31) F(5) C(26) F(32) -92(2) yes
F(31) F(5) C(26) F(33) -157(1) yes
F(31) F(5) C(26) C(21) 104(1) yes
F(31) F(6) F(32) C(26) -18(1) yes
F(31) F(6) C(26) F(32) 160(1) yes
F(31) F(6) C(26) F(33) 82(2) yes
F(31) F(6) C(26) C(21) -98(1) yes
F(31) C(26) F(4) F(32) 75(3) yes
F(31) C(26) F(4) F(33) -94(2) yes
F(31) C(26) F(5) F(33) 157(1) yes
F(31) C(26) F(6) F(32) -160(1) yes
F(31) C(26) C(21) C(20) -67(2) yes
F(31) C(26) C(21) C(22) 111(1) yes
F(32) F(4) F(33) C(26) -12(2) yes
F(32) F(4) C(26) F(33) 170(1) yes
F(32) F(4) C(26) C(21) -90(1) yes
F(32) F(6) F(31) C(26) 18(1) yes
F(32) F(6) C(26) F(33) -77(2) yes
F(32) F(6) C(26) C(21) 100(1) yes
F(32) C(26) F(4) F(33) -170(1) yes
F(32) C(26) F(5) F(33) 64(2) yes
F(32) C(26) C(21) C(20) 55(1) yes
F(32) C(26) C(21) C(22) -126(1) yes
F(33) F(4) F(32) C(26) 11(2) yes
F(33) F(4) C(26) C(21) 99(1) yes
F(33) F(5) F(31) C(26) -22(1) yes
F(33) F(5) C(26) C(21) -98(1) yes
F(33) C(26) C(21) C(20) 163(1) yes
F(33) C(26) C(21) C(22) -17(1) yes
C(1) Pt(1) Pt(2) C(4) -28.7(4) yes
C(1) Pt(1) Pt(2) C(5) 6.6(3) yes
C(1) Pt(1) Pt(2) C(10) 172.8(3) yes
C(1) Pt(1) Pt(2) C(11) 140.6(3) yes
C(1) Pt(1) Pt(2) C(15) -116.0(4) yes
C(1) Pt(1) Pt(2) C(16) -115(1) yes
C(1) Pt(1) Pt(3) C(6) -32.3(3) yes
C(1) Pt(1) Pt(3) C(7) -1.4(3) yes
C(1) Pt(1) Pt(3) C(12) -170.2(3) yes
C(1) Pt(1) Pt(3) C(13) 152.8(4) yes
C(1) Pt(1) Pt(3) C(17) 77(1) yes
C(1) Pt(1) Pt(3) C(18) 68.3(4) yes
C(1) Pt(1) C(2) C(3) 124.9(8) yes
C(1) Pt(1) C(8) C(9) -158.7(5) yes
C(1) Pt(1) C(8) C(14) -31.5(10) yes
C(1) Pt(1) C(9) C(8) 111(1) yes
C(1) Pt(1) C(9) C(10) -16(1) yes
C(1) Pt(1) C(19) C(20) -73.8(7) yes
C(1) Pt(1) C(19) C(24) 107.4(6) yes
C(1) C(2) Pt(1) C(8) 147(3) yes
C(1) C(2) Pt(1) C(9) -160.1(5) yes
C(1) C(2) Pt(1) C(19) 102.2(5) yes
C(1) C(2) C(3) C(4) -12(2) yes
C(1) C(7) Pt(3) C(6) 126.1(8) yes
C(1) C(7) Pt(3) C(12) 35(1) yes
C(1) C(7) Pt(3) C(13) -45.1(9) yes
C(1) C(7) Pt(3) C(17) -166.4(5) yes
C(1) C(7) Pt(3) C(18) -134.8(5) yes
C(1) C(7) C(6) C(5) -5(1) yes
C(2) Pt(1) Pt(2) C(4) 8.0(4) yes
C(2) Pt(1) Pt(2) C(5) 43.2(3) yes
C(2) Pt(1) Pt(2) C(10) -150.5(3) yes
C(2) Pt(1) Pt(2) C(11) 177.3(4) yes
C(2) Pt(1) Pt(2) C(15) -79.3(4) yes
C(2) Pt(1) Pt(2) C(16) -78(1) yes
C(2) Pt(1) Pt(3) C(6) -1.9(4) yes
C(2) Pt(1) Pt(3) C(7) 29.0(3) yes
C(2) Pt(1) Pt(3) C(12) -139.8(4) yes
C(2) Pt(1) Pt(3) C(13) -176.8(4) yes
C(2) Pt(1) Pt(3) C(17) 108(1) yes
C(2) Pt(1) Pt(3) C(18) 98.7(5) yes
C(2) Pt(1) C(1) C(7) -124.4(7) yes
C(2) Pt(1) C(8) C(9) 58(3) yes
C(2) Pt(1) C(8) C(14) -174(3) yes
C(2) Pt(1) C(9) C(8) -172.9(6) yes
C(2) Pt(1) C(9) C(10) 59.7(7) yes
C(2) Pt(1) C(19) C(20) -111.7(7) yes
C(2) Pt(1) C(19) C(24) 69.5(7) yes
C(2) C(1) Pt(1) C(8) -174.8(6) yes
C(2) C(1) Pt(1) C(9) 91(1) yes
C(2) C(1) Pt(1) C(19) -79.4(5) yes
C(2) C(1) C(7) C(6) 0(1) yes
C(2) C(3) C(4) C(5) 14(2) yes
C(3) C(2) Pt(1) C(8) -87(3) yes
C(3) C(2) Pt(1) C(9) -35.2(8) yes
C(3) C(2) Pt(1) C(19) -132.9(6) yes
C(3) C(2) C(1) C(7) 6(1) yes
C(3) C(4) Pt(2) C(5) -129.8(8) yes
C(3) C(4) Pt(2) C(10) 13.9(9) yes
C(3) C(4) Pt(2) C(11) -126(1) yes
C(3) C(4) Pt(2) C(15) 100.1(6) yes
C(3) C(4) Pt(2) C(16) 135.9(6) yes
C(3) C(4) C(5) C(6) -13(2) yes
C(4) Pt(2) Pt(1) C(8) -177.3(4) yes
C(4) Pt(2) Pt(1) C(9) 155.7(4) yes
C(4) Pt(2) Pt(1) C(19) 83.8(5) yes
C(4) Pt(2) Pt(3) C(6) -13.5(4) yes
C(4) Pt(2) Pt(3) C(7) 21.9(4) yes
C(4) Pt(2) Pt(3) C(12) -166.8(4) yes
C(4) Pt(2) Pt(3) C(13) 167.0(5) yes
C(4) Pt(2) Pt(3) C(17) -95.1(5) yes
C(4) Pt(2) Pt(3) C(18) -82(1) yes
C(4) Pt(2) C(5) C(6) 124.2(9) yes
C(4) Pt(2) C(10) C(9) -44.7(9) yes
C(4) Pt(2) C(10) C(11) -168.9(6) yes
C(4) Pt(2) C(11) C(10) 150(1) yes
C(4) Pt(2) C(11) C(12) 24(2) yes
C(4) Pt(2) C(15) C(16) 92.5(7) yes
C(4) Pt(2) C(16) C(15) -87.3(7) yes
C(4) C(5) Pt(2) C(10) -123.8(9) yes
C(4) C(5) Pt(2) C(11) -179.2(5) yes
C(4) C(5) Pt(2) C(15) 55.0(6) yes
C(4) C(5) Pt(2) C(16) 86.8(5) yes
C(4) C(5) C(6) C(7) 9(2) yes
C(5) Pt(2) Pt(1) C(8) -142.0(4) yes
C(5) Pt(2) Pt(1) C(9) -169.0(3) yes
C(5) Pt(2) Pt(1) C(19) 119.1(5) yes
C(5) Pt(2) Pt(3) C(6) 9.2(4) yes
C(5) Pt(2) Pt(3) C(7) 44.6(4) yes
C(5) Pt(2) Pt(3) C(12) -144.1(4) yes
C(5) Pt(2) Pt(3) C(13) -170.4(5) yes
C(5) Pt(2) Pt(3) C(17) -72.4(5) yes
C(5) Pt(2) Pt(3) C(18) -59(1) yes
C(5) Pt(2) C(10) C(9) 48(1) yes
C(5) Pt(2) C(10) C(11) -76(1) yes
C(5) Pt(2) C(11) C(10) 152.5(4) yes
C(5) Pt(2) C(11) C(12) 26.6(8) yes
C(5) Pt(2) C(15) C(16) 64.0(7) yes
C(5) Pt(2) C(16) C(15) -122.8(6) yes
C(5) C(4) Pt(2) C(10) 143.7(6) yes
C(5) C(4) Pt(2) C(11) 3(1) yes
C(5) C(4) Pt(2) C(15) -130.1(5) yes
C(5) C(4) Pt(2) C(16) -94.3(5) yes
C(5) C(6) Pt(3) C(7) -125.2(8) yes
C(5) C(6) Pt(3) C(12) 23.4(8) yes
C(5) C(6) Pt(3) C(13) -10(5) yes
C(5) C(6) Pt(3) C(17) 116.3(6) yes
C(5) C(6) Pt(3) C(18) 151.9(6) yes
C(6) Pt(3) Pt(1) C(8) 176.4(4) yes
C(6) Pt(3) Pt(1) C(9) 140.4(3) yes
C(6) Pt(3) Pt(1) C(19) -103.8(5) yes
C(6) Pt(3) Pt(2) C(10) -165.7(3) yes
C(6) Pt(3) Pt(2) C(11) 160.3(3) yes
C(6) Pt(3) Pt(2) C(15) 89(1) yes
C(6) Pt(3) Pt(2) C(16) 80.9(4) yes
C(6) Pt(3) C(12) C(11) -51.8(8) yes
C(6) Pt(3) C(12) C(13) -174.9(8) yes
C(6) Pt(3) C(13) C(12) 37(5) yes
C(6) Pt(3) C(13) C(14) -90(4) yes
C(6) Pt(3) C(17) C(18) 98.5(7) yes
C(6) Pt(3) C(18) C(17) -83.7(7) yes
C(6) C(5) Pt(2) C(10) 0(1) yes
C(6) C(5) Pt(2) C(11) -55.1(8) yes
C(6) C(5) Pt(2) C(15) 179.1(7) yes
C(6) C(5) Pt(2) C(16) -149.0(7) yes
C(6) C(7) Pt(3) C(12) -90(1) yes
C(6) C(7) Pt(3) C(13) -171.3(7) yes
C(6) C(7) Pt(3) C(17) 67.5(6) yes
C(6) C(7) Pt(3) C(18) 99.1(6) yes
C(7) Pt(3) Pt(1) C(8) -152.7(3) yes
C(7) Pt(3) Pt(1) C(9) 171.2(3) yes
C(7) Pt(3) Pt(1) C(19) -72.9(5) yes
C(7) Pt(3) Pt(2) C(10) -130.3(3) yes
C(7) Pt(3) Pt(2) C(11) -164.3(4) yes
C(7) Pt(3) Pt(2) C(15) 125(1) yes
C(7) Pt(3) Pt(2) C(16) 116.3(4) yes
C(7) Pt(3) C(12) C(11) 14(1) yes
C(7) Pt(3) C(12) C(13) -108(1) yes
C(7) Pt(3) C(13) C(12) 145.5(6) yes
C(7) Pt(3) C(13) C(14) 17(1) yes
C(7) Pt(3) C(17) C(18) 63.7(7) yes
C(7) Pt(3) C(18) C(17) -121.5(7) yes
C(7) C(1) Pt(1) C(8) 60.8(8) yes
C(7) C(1) Pt(1) C(9) -33(1) yes
C(7) C(1) Pt(1) C(19) 156.2(5) yes
C(7) C(6) Pt(3) C(12) 148.6(6) yes
C(7) C(6) Pt(3) C(13) 114(4) yes
C(7) C(6) Pt(3) C(17) -118.5(6) yes
C(7) C(6) Pt(3) C(18) -82.9(5) yes
C(8) Pt(1) Pt(2) C(10) 24.2(4) yes
C(8) Pt(1) Pt(2) C(11) -8.0(4) yes
C(8) Pt(1) Pt(2) C(15) 95.4(5) yes
C(8) Pt(1) Pt(2) C(16) 96(1) yes
C(8) Pt(1) Pt(3) C(12) 38.5(4) yes
C(8) Pt(1) Pt(3) C(13) 1.5(4) yes
C(8) Pt(1) Pt(3) C(17) -73(1) yes
C(8) Pt(1) Pt(3) C(18) -83.0(5) yes
C(8) Pt(1) C(9) C(10) -127.4(8) yes
C(8) Pt(1) C(19) C(20) 72.1(7) yes
C(8) Pt(1) C(19) C(24) -106.7(7) yes
C(8) C(9) Pt(1) C(19) -78.1(6) yes
C(8) C(9) C(10) C(11) -2(1) yes
C(8) C(14) C(13) C(12) 8(2) yes
C(9) Pt(1) Pt(2) C(10) -2.8(3) yes
C(9) Pt(1) Pt(2) C(11) -35.0(3) yes
C(9) Pt(1) Pt(2) C(15) 68.4(4) yes
C(9) Pt(1) Pt(2) C(16) 69(1) yes
C(9) Pt(1) Pt(3) C(12) 2.4(3) yes
C(9) Pt(1) Pt(3) C(13) -34.5(4) yes
C(9) Pt(1) Pt(3) C(17) -109(1) yes
C(9) Pt(1) Pt(3) C(18) -119.0(4) yes
C(9) Pt(1) C(8) C(14) 127.2(9) yes
C(9) Pt(1) C(19) C(20) 108.2(7) yes
C(9) Pt(1) C(19) C(24) -70.5(7) yes
C(9) C(8) Pt(1) C(19) 103.3(5) yes
C(9) C(8) C(14) C(13) -10(2) yes
C(9) C(10) Pt(2) C(11) 124.2(7) yes
C(9) C(10) Pt(2) C(15) -130.8(6) yes
C(9) C(10) Pt(2) C(16) -163.6(6) yes
C(9) C(10) C(11) C(12) -2(1) yes
C(10) Pt(2) Pt(1) C(19) -74.7(5) yes
C(10) Pt(2) Pt(3) C(12) 41.0(3) yes
C(10) Pt(2) Pt(3) C(13) 14.7(5) yes
C(10) Pt(2) Pt(3) C(17) 112.6(5) yes
C(10) Pt(2) Pt(3) C(18) 125(1) yes
C(10) Pt(2) C(11) C(12) -125.9(8) yes
C(10) Pt(2) C(15) C(16) -116.4(6) yes
C(10) Pt(2) C(16) C(15) 67.6(7) yes
C(10) C(9) Pt(1) C(19) 154.5(5) yes
C(10) C(9) C(8) C(14) 8(2) yes
C(10) C(11) Pt(2) C(15) -77.5(5) yes
C(10) C(11) Pt(2) C(16) -112.7(5) yes
C(10) C(11) C(12) C(13) 4(2) yes
C(11) Pt(2) Pt(1) C(19) -106.9(5) yes
C(11) Pt(2) Pt(3) C(12) 7.0(3) yes
C(11) Pt(2) Pt(3) C(13) -19.3(5) yes
C(11) Pt(2) Pt(3) C(17) 78.7(5) yes
C(11) Pt(2) Pt(3) C(18) 91(1) yes
C(11) Pt(2) C(15) C(16) -79.6(7) yes
C(11) Pt(2) C(16) C(15) 103.4(7) yes
C(11) C(10) Pt(2) C(15) 105.0(5) yes
C(11) C(10) Pt(2) C(16) 72.2(5) yes
C(11) C(12) Pt(3) C(13) 123(1) yes
C(11) C(12) Pt(3) C(17) -144.7(7) yes
C(11) C(12) Pt(3) C(18) -175.8(6) yes
C(11) C(12) C(13) C(14) -5(2) yes
C(12) Pt(3) Pt(1) C(19) 118.3(5) yes
C(12) Pt(3) Pt(2) C(15) -63(1) yes
C(12) Pt(3) Pt(2) C(16) -72.4(4) yes
C(12) Pt(3) C(13) C(14) -128(1) yes
C(12) Pt(3) C(17) C(18) -123.9(7) yes
C(12) Pt(3) C(18) C(17) 62.1(8) yes
C(12) C(11) Pt(2) C(15) 156.6(6) yes
C(12) C(11) Pt(2) C(16) 121.4(6) yes
C(12) C(13) Pt(3) C(17) -89.0(7) yes
C(12) C(13) Pt(3) C(18) -124.7(7) yes
C(13) Pt(3) Pt(1) C(19) 81.3(6) yes
C(13) Pt(3) Pt(2) C(15) -89(1) yes
C(13) Pt(3) Pt(2) C(16) -98.7(6) yes
C(13) Pt(3) C(17) C(18) -86.1(8) yes
C(13) Pt(3) C(18) C(17) 94.6(8) yes
C(13) C(12) Pt(3) C(17) 92.3(8) yes
C(13) C(12) Pt(3) C(18) 61.1(8) yes
C(14) C(8) Pt(1) C(19) -129.5(6) yes
C(14) C(13) Pt(3) C(17) 142.8(8) yes
C(14) C(13) Pt(3) C(18) 107.0(8) yes
C(15) Pt(2) Pt(1) C(19) -3.5(6) yes
C(15) Pt(2) Pt(3) C(17) 8(1) yes
C(15) Pt(2) Pt(3) C(18) 21(1) yes
C(16) Pt(2) Pt(1) C(19) -2(1) yes
C(16) Pt(2) Pt(3) C(17) -0.7(6) yes
C(16) Pt(2) Pt(3) C(18) 12(1) yes
C(17) Pt(3) Pt(1) C(19) 6(1) yes
C(18) Pt(3) Pt(1) C(19) -3.2(6) yes
C(19) C(20) C(21) C(22) 0(1) yes
C(19) C(20) C(21) C(26) 178.7(8) yes
C(19) C(24) C(23) C(22) 1(1) yes
C(19) C(24) C(23) C(25) -175.7(8) yes
C(20) C(19) C(24) C(23) -1(1) yes
C(20) C(21) C(22) C(23) 0(1) yes
C(21) C(20) C(19) C(24) 0(1) yes
C(21) C(22) C(23) C(24) 0(1) yes
C(21) C(22) C(23) C(25) 176.7(8) yes
C(23) C(22) C(21) C(26) -179.1(8) yes
C(27) C(28) C(29) C(30) -1(1) yes
C(27) C(28) C(29) C(33) -178.3(7) yes
C(27) C(32) C(31) C(30) 1(1) yes
C(27) C(32) C(31) C(34) 179.4(7) yes
C(27) B(1) C(35) C(36) -142.7(6) yes
C(27) B(1) C(35) C(40) 46.2(8) yes
C(27) B(1) C(43) C(44) -96.3(7) yes
C(27) B(1) C(43) C(48) 80.6(8) yes
C(27) B(1) C(51) C(52) 159.8(7) yes
C(27) B(1) C(51) C(56) -27(1) yes
C(28) C(27) C(32) C(31) 0(1) yes
C(28) C(27) B(1) C(35) -154.9(6) yes
C(28) C(27) B(1) C(43) 82.3(8) yes
C(28) C(27) B(1) C(51) -40.7(9) yes
C(28) C(29) C(30) C(31) 2(1) yes
C(29) C(28) C(27) C(32) 0.0(10) yes
C(29) C(28) C(27) B(1) -177.2(6) yes
C(29) C(30) C(31) C(32) -2(1) yes
C(29) C(30) C(31) C(34) 179.7(7) yes
C(31) C(30) C(29) C(33) 179.4(7) yes
C(31) C(32) C(27) B(1) 177.0(7) yes
C(32) C(27) B(1) C(35) 28.2(9) yes
C(32) C(27) B(1) C(43) -94.6(8) yes
C(32) C(27) B(1) C(51) 142.4(7) yes
C(35) C(36) C(37) C(38) 0(1) yes
C(35) C(36) C(37) C(41) -179.9(6) yes
C(35) C(40) C(39) C(38) 4(1) yes
C(35) C(40) C(39) C(42) -179.3(7) yes
C(35) B(1) C(43) C(44) 140.6(6) yes
C(35) B(1) C(43) C(48) -42.5(7) yes
C(35) B(1) C(51) C(52) -80.0(8) yes
C(35) B(1) C(51) C(56) 92.5(8) yes
C(36) C(35) C(40) C(39) -0.1(10) yes
C(36) C(35) B(1) C(43) -21.8(9) yes
C(36) C(35) B(1) C(51) 96.3(7) yes
C(36) C(37) C(38) C(39) 3(1) yes
C(37) C(36) C(35) C(40) -2.4(10) yes
C(37) C(36) C(35) B(1) -173.9(6) yes
C(37) C(38) C(39) C(40) -6(1) yes
C(37) C(38) C(39) C(42) 177.7(7) yes
C(39) C(38) C(37) C(41) -175.8(6) yes
C(39) C(40) C(35) B(1) 171.7(6) yes
C(40) C(35) B(1) C(43) 167.1(6) yes
C(40) C(35) B(1) C(51) -74.8(7) yes
C(43) C(44) C(45) C(46) -1.9(9) yes
C(43) C(44) C(45) C(49) 176.0(6) yes
C(43) C(48) C(47) C(46) 1.6(10) yes
C(43) C(48) C(47) C(50) -174.3(6) yes
C(43) B(1) C(51) C(52) 38.4(10) yes
C(43) B(1) C(51) C(56) -149.0(7) yes
C(44) C(43) C(48) C(47) -2.9(9) yes
C(44) C(43) B(1) C(51) 28.0(8) yes
C(44) C(45) C(46) C(47) 0.5(9) yes
C(45) C(44) C(43) C(48) 2.9(9) yes
C(45) C(44) C(43) B(1) 180.0(6) yes
C(45) C(46) C(47) C(48) -0.4(10) yes
C(45) C(46) C(47) C(50) 175.6(6) yes
C(47) C(46) C(45) C(49) -177.3(6) yes
C(47) C(48) C(43) B(1) 180.0(6) yes
C(48) C(43) B(1) C(51) -155.0(6) yes
C(51) C(52) C(53) C(54) 0(1) yes
C(51) C(52) C(53) C(57) 178.7(7) yes
C(51) C(56) C(55) C(54) -3(1) yes
C(51) C(56) C(55) C(58) 175.7(7) yes
C(52) C(51) C(56) C(55) 0(1) yes
C(52) C(53) C(54) C(55) -1(1) yes
C(53) C(52) C(51) C(56) 0(1) yes
C(53) C(52) C(51) B(1) 174.1(7) yes
C(53) C(54) C(55) C(56) 3(1) yes
C(53) C(54) C(55) C(58) -175.4(7) yes
C(55) C(54) C(53) C(57) 179.1(7) yes
C(55) C(56) C(51) B(1) -172.1(7) yes
C(55) C(56) C(51) B(1) -172.1(7) yes
