#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/98/4069836.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_4069836
loop_
_publ_author_name
'Jacob, Volker'
'Landorf, Christopher W.'
'Zakharov, Lev N.'
'Weakley, Timothy J. R.'
'Haley, Michael M.'
_publ_section_title
;
 Platinabenzenes: Synthesis, Properties, and Reactivity Studies of a Rare
 Class of Metalla-aromatics†
;
_journal_issue                   17
_journal_name_full               Organometallics
_journal_page_first              5183
_journal_paper_doi               10.1021/om900439z
_journal_volume                  28
_journal_year                    2009
_chemical_formula_moiety         'C27 H28 Pt '
_chemical_formula_sum            'C27 H28 Pt'
_chemical_formula_weight         547.61
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_date             2002-08-26
_audit_creation_method           'by teXsan v1.8'
_cell_angle_alpha                90
_cell_angle_beta                 101.32(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.575(3)
_cell_length_b                   16.976(3)
_cell_length_c                   12.445(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296
_cell_measurement_theta_max      14.9
_cell_measurement_theta_min      14.1
_cell_volume                     2190.7(8)
_computing_cell_refinement       'CAD4/PC (Enraf-Nonius, 1993)'
_computing_data_collection       'CAD4/PC (Enraf-Nonius, 1993)'
_computing_data_reduction        'TEXSAN (Molecular Structure Corp., 1997)'
_computing_publication_material  'TEXSAN (Molecular Structure Corp., 1997)'
_computing_structure_refinement  'TEXSAN (Molecular Structure Corp., 1997)'
_computing_structure_solution    'TEXSAN (Molecular Structure Corp., 1997)'
_diffrn_ambient_temperature      296
_diffrn_measurement_device_type  'Nonius CAD-4 serial diffractometer'
_diffrn_measurement_method       ω-2θ
_diffrn_orient_matrix_UB_11      0.00562
_diffrn_orient_matrix_UB_12      0.04202
_diffrn_orient_matrix_UB_13      -0.05516
_diffrn_orient_matrix_UB_21      -0.05539
_diffrn_orient_matrix_UB_22      -0.03227
_diffrn_orient_matrix_UB_23      -0.05807
_diffrn_orient_matrix_UB_31      -0.07870
_diffrn_orient_matrix_UB_32      0.02572
_diffrn_orient_matrix_UB_33      0.01724
_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.015
_diffrn_reflns_av_sigmaI/netI    0.040
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            5749
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         28.0
_diffrn_reflns_theta_min         1.7
_diffrn_standards_decay_%        -3.2
_diffrn_standards_interval_count 300
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    6.388
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.744
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   'North,Phillips & Matthews (1968)'
_exptl_crystal_colour            red-brown
_exptl_crystal_density_diffrn    1.660
_exptl_crystal_description       tablet
_exptl_crystal_F_000             1072.00
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.33
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.28
_refine_diff_density_min         -0.80
_refine_ls_abs_structure_details 'not applicable'
_refine_ls_extinction_coef       0.00000018(2)
_refine_ls_extinction_expression 'equ(3) Acta Cryst.(1968) A24, p213.'
_refine_ls_extinction_method     'Zachariasen (1967)'
_refine_ls_goodness_of_fit_all   1.482
_refine_ls_goodness_of_fit_ref   1.56
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     254
_refine_ls_number_reflns         5281
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.044
_refine_ls_R_factor_gt           0.028
_refine_ls_shift/su_max          0.02
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 4Fₒ²/[σ²(I) + (0.028I)²]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.079
_refine_ls_wR_factor_ref         0.039
_reflns_number_gt                5281
_reflns_number_total             5479
_reflns_threshold_expression     I>1.00σ(I)
_cod_data_source_file            om900439z_si_001.cif
_cod_data_source_block           VJ0802
_cod_original_cell_volume        2190.8(7)
_cod_original_sg_symbol_H-M      'P 21/c     '
_cod_original_formula_sum        'C27 H28 Pt '
_cod_database_code               4069836
loop_
_symmetry_equiv_pos_as_xyz
'   +x,   +y,   +z'
'   -x,1/2+y,1/2-z'
'   -x,   -y,   -z'
'   +x,1/2-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_occupancy
_atom_site_adp_type
_atom_site_calc_flag
Pt 0.601443(15) 0.720891(10) 0.415686(14) 0.03766(5) 1.000 Uani d
C(1) 0.4364(6) 0.6597(3) 0.4714(5) 0.0597(17) 1.000 Uani d
C(2) 0.5494(7) 0.6211(4) 0.5199(4) 0.076(2) 1.000 Uani d
C(3) 0.5993(5) 0.5850(3) 0.4317(6) 0.0668(19) 1.000 Uani d
C(4) 0.5186(6) 0.6038(3) 0.3359(5) 0.0554(16) 1.000 Uani d
C(5) 0.4162(5) 0.6485(3) 0.3575(5) 0.0573(16) 1.000 Uani d
C(6) 0.7646(4) 0.7567(3) 0.3819(4) 0.0358(11) 1.000 Uani d
C(7) 0.8181(4) 0.8325(3) 0.3899(4) 0.0418(12) 1.000 Uani d
C(8) 0.7526(5) 0.8978(3) 0.4195(4) 0.0482(13) 1.000 Uani d
C(9) 0.6341(5) 0.8959(3) 0.4472(5) 0.0518(14) 1.000 Uani d
C(10) 0.5591(5) 0.8287(3) 0.4455(4) 0.0493(14) 1.000 Uani d
C(11) 0.3441(12) 0.7023(6) 0.5322(12) 0.166(5) 1.000 Uani d
C(12) 0.6077(12) 0.6115(7) 0.6405(7) 0.175(5) 1.000 Uani d
C(13) 0.7121(7) 0.5293(4) 0.4449(11) 0.151(4) 1.000 Uani d
C(14) 0.5254(11) 0.5739(6) 0.2227(7) 0.141(4) 1.000 Uani d
C(15) 0.3038(9) 0.6731(6) 0.2743(8) 0.132(4) 1.000 Uani d
C(16) 0.8468(5) 0.6916(3) 0.3528(4) 0.0432(12) 1.000 Uani d
C(17) 0.9438(5) 0.6596(3) 0.4277(5) 0.0552(15) 1.000 Uani d
C(18) 1.0169(6) 0.5981(4) 0.4015(7) 0.083(2) 1.000 Uani d
C(19) 0.9940(6) 0.5666(4) 0.3000(7) 0.077(2) 1.000 Uani d
C(20) 0.8991(8) 0.5977(4) 0.2235(6) 0.082(2) 1.000 Uani d
C(21) 0.8235(5) 0.6598(3) 0.2468(4) 0.0510(14) 1.000 Uani d
C(22) 0.9504(4) 0.8485(3) 0.3665(4) 0.0429(12) 1.000 Uani d
C(23) 0.9800(5) 0.8371(3) 0.2641(4) 0.0524(14) 1.000 Uani d
C(24) 1.0992(6) 0.8559(4) 0.2433(6) 0.071(2) 1.000 Uani d
C(25) 1.1927(5) 0.8858(4) 0.3244(6) 0.0671(19) 1.000 Uani d
C(26) 1.1665(5) 0.8974(4) 0.4264(6) 0.0678(19) 1.000 Uani d
C(27) 1.0494(6) 0.8785(3) 0.4499(5) 0.0609(17) 1.000 Uani d
H(1) 0.7938 0.9476 0.4205 0.058 1.000 Uiso c
H(2) 0.6006 0.9439 0.4692 0.062 1.000 Uiso c
H(3) 0.4756 0.8366 0.4610 0.059 1.000 Uiso c
H(4) 0.3886 0.7439 0.5747 0.199 1.000 Uiso c
H(5) 0.2739 0.7233 0.4807 0.199 1.000 Uiso c
H(6) 0.3126 0.6662 0.5791 0.199 1.000 Uiso c
H(7) 0.5495 0.5831 0.6754 0.210 1.000 Uiso c
H(8) 0.6866 0.5833 0.6482 0.210 1.000 Uiso c
H(9) 0.6234 0.6619 0.6735 0.210 1.000 Uiso c
H(10) 0.6824 0.4781 0.4213 0.182 1.000 Uiso c
H(11) 0.7712 0.5472 0.4018 0.182 1.000 Uiso c
H(12) 0.7538 0.5274 0.5197 0.182 1.000 Uiso c
H(13) 0.4532 0.5410 0.1967 0.169 1.000 Uiso c
H(14) 0.5247 0.6172 0.1744 0.169 1.000 Uiso c
H(15) 0.6026 0.5445 0.2260 0.169 1.000 Uiso c
H(16) 0.2466 0.7029 0.3084 0.158 1.000 Uiso c
H(17) 0.3319 0.7044 0.2203 0.158 1.000 Uiso c
H(18) 0.2604 0.6277 0.2407 0.158 1.000 Uiso c
H(19) 0.9617 0.6802 0.5000 0.066 1.000 Uiso c
H(20) 1.0846 0.5774 0.4558 0.100 1.000 Uiso c
H(21) 1.0437 0.5234 0.2828 0.093 1.000 Uiso c
H(22) 0.8834 0.5765 0.1515 0.099 1.000 Uiso c
H(23) 0.7568 0.6804 0.1916 0.061 1.000 Uiso c
H(24) 0.9164 0.8158 0.2069 0.063 1.000 Uiso c
H(25) 1.1167 0.8481 0.1721 0.085 1.000 Uiso c
H(26) 1.2754 0.8984 0.3100 0.080 1.000 Uiso c
H(27) 1.2313 0.9192 0.4823 0.081 1.000 Uiso c
H(28) 1.0343 0.8855 0.5221 0.073 1.000 Uiso c
loop_
_atom_type_symbol
_atom_type_oxidation_number
_atom_type_number_in_cell
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C 0 108 0.002 0.002
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
H 0 112 0.000 0.000
;International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.2)
;
Pt 0 4 -2.352 8.388
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
1 12 -1
-1 12 1
1 -12 -1
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
C(1) Pt C(2) 35.9(2) yes
C(1) Pt C(3) 59.5(2) yes
C(1) Pt C(4) 59.04(19) yes
C(1) Pt C(5) 35.9(2) yes
C(1) Pt C(6) 168.7(2) yes
C(1) Pt C(10) 98.9(2) yes
C(2) Pt C(3) 36.7(2) yes
C(2) Pt C(4) 59.33(19) yes
C(2) Pt C(5) 59.65(19) yes
C(2) Pt C(6) 132.9(2) yes
C(2) Pt C(10) 120.4(3) yes
C(3) Pt C(4) 34.2(2) yes
C(3) Pt C(5) 58.3(2) yes
C(3) Pt C(6) 110.65(19) yes
C(3) Pt C(10) 156.6(2) yes
C(4) Pt C(5) 35.04(19) yes
C(4) Pt C(6) 116.82(19) yes
C(4) Pt C(10) 144.2(2) yes
C(5) Pt C(6) 146.21(19) yes
C(5) Pt C(10) 110.5(2) yes
C(6) Pt C(10) 89.67(19) yes
Pt C(1) C(2) 72.5(3) yes
Pt C(1) C(5) 74.0(3) yes
Pt C(1) C(11) 122.8(4) yes
C(2) C(1) C(5) 108.8(5) yes
C(2) C(1) C(11) 125.8(8) yes
C(5) C(1) C(11) 125.3(9) yes
Pt C(2) C(1) 71.6(3) yes
Pt C(2) C(3) 73.5(3) yes
Pt C(2) C(12) 123.4(4) yes
C(1) C(2) C(3) 106.3(5) yes
C(1) C(2) C(12) 128.9(9) yes
C(3) C(2) C(12) 124.6(9) yes
Pt C(3) C(2) 69.7(3) yes
Pt C(3) C(4) 72.8(3) yes
Pt C(3) C(13) 127.9(4) yes
C(2) C(3) C(4) 107.8(5) yes
C(2) C(3) C(13) 125.7(8) yes
C(4) C(3) C(13) 126.2(8) yes
Pt C(4) C(3) 73.0(3) yes
Pt C(4) C(5) 72.1(3) yes
Pt C(4) C(14) 127.2(4) yes
C(3) C(4) C(5) 109.7(5) yes
C(3) C(4) C(14) 126.9(7) yes
C(5) C(4) C(14) 122.9(7) yes
Pt C(5) C(1) 70.1(3) yes
Pt C(5) C(4) 72.9(3) yes
Pt C(5) C(15) 126.0(4) yes
C(1) C(5) C(4) 107.3(5) yes
C(1) C(5) C(15) 127.7(7) yes
C(4) C(5) C(15) 124.8(7) yes
Pt C(6) C(7) 129.2(3) yes
Pt C(6) C(16) 113.8(3) yes
C(7) C(6) C(16) 116.8(4) yes
C(6) C(7) C(8) 122.3(4) yes
C(6) C(7) C(22) 121.9(4) yes
C(8) C(7) C(22) 115.8(4) yes
C(7) C(8) C(9) 125.2(4) yes
C(7) C(8) H(1) 117.4 no
C(9) C(8) H(1) 117.4 no
C(8) C(9) C(10) 124.5(5) yes
C(8) C(9) H(2) 117.8 no
C(10) C(9) H(2) 117.8 no
Pt C(10) C(9) 128.9(4) yes
Pt C(10) H(3) 115.6 no
C(9) C(10) H(3) 115.6 no
C(1) C(11) H(4) 109.5 no
C(1) C(11) H(5) 109.5 no
C(1) C(11) H(6) 109.5 no
H(4) C(11) H(5) 109.5 no
H(4) C(11) H(6) 109.5 no
H(5) C(11) H(6) 109.5 no
C(2) C(12) H(7) 109.5 no
C(2) C(12) H(8) 109.5 no
C(2) C(12) H(9) 109.5 no
H(7) C(12) H(8) 109.5 no
H(7) C(12) H(9) 109.5 no
H(8) C(12) H(9) 109.5 no
C(3) C(13) H(10) 109.5 no
C(3) C(13) H(11) 109.5 no
C(3) C(13) H(12) 109.5 no
H(10) C(13) H(11) 109.5 no
H(10) C(13) H(12) 109.5 no
H(11) C(13) H(12) 109.5 no
C(4) C(14) H(13) 109.5 no
C(4) C(14) H(14) 109.5 no
C(4) C(14) H(15) 109.5 no
H(13) C(14) H(14) 109.5 no
H(13) C(14) H(15) 109.5 no
H(14) C(14) H(15) 109.5 no
C(5) C(15) H(16) 109.5 no
C(5) C(15) H(17) 109.5 no
C(5) C(15) H(18) 109.5 no
H(16) C(15) H(17) 109.5 no
H(16) C(15) H(18) 109.5 no
H(17) C(15) H(18) 109.5 no
C(6) C(16) C(17) 121.8(5) yes
C(6) C(16) C(21) 120.7(5) yes
C(17) C(16) C(21) 117.5(5) yes
C(16) C(17) C(18) 121.7(6) yes
C(16) C(17) H(19) 119.2 no
C(18) C(17) H(19) 119.2 no
C(17) C(18) C(19) 121.1(6) yes
C(17) C(18) H(20) 119.4 no
C(19) C(18) H(20) 119.4 no
C(18) C(19) C(20) 118.5(6) yes
C(18) C(19) H(21) 120.7 no
C(20) C(19) H(21) 120.8 no
C(19) C(20) C(21) 122.0(6) yes
C(19) C(20) H(22) 119.0 no
C(21) C(20) H(22) 119.0 no
C(16) C(21) C(20) 119.2(6) yes
C(16) C(21) H(23) 120.4 no
C(20) C(21) H(23) 120.4 no
C(7) C(22) C(23) 122.6(4) yes
C(7) C(22) C(27) 120.2(5) yes
C(23) C(22) C(27) 117.2(4) yes
C(22) C(23) C(24) 121.5(5) yes
C(22) C(23) H(24) 119.3 no
C(24) C(23) H(24) 119.3 no
C(23) C(24) C(25) 120.4(6) yes
C(23) C(24) H(25) 119.8 no
C(25) C(24) H(25) 119.8 no
C(24) C(25) C(26) 119.4(5) yes
C(24) C(25) H(26) 120.3 no
C(26) C(25) H(26) 120.3 no
C(25) C(26) C(27) 121.5(5) yes
C(25) C(26) H(27) 119.2 no
C(27) C(26) H(27) 119.2 no
C(22) C(27) C(26) 119.9(5) yes
C(22) C(27) H(28) 120.1 no
C(26) C(27) H(28) 120.1 no
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Pt C(1) 2.254(5) yes
Pt C(2) 2.266(5) yes
Pt C(3) 2.317(5) yes
Pt C(4) 2.315(5) yes
Pt C(5) 2.305(5) yes
Pt C(6) 1.951(4) yes
Pt C(10) 1.937(5) yes
C(1) C(2) 1.392(9) yes
C(1) C(5) 1.405(8) yes
C(1) C(11) 1.530(10) yes
C(2) C(3) 1.445(9) yes
C(2) C(12) 1.515(9) yes
C(3) C(4) 1.361(8) yes
C(3) C(13) 1.505(9) yes
C(4) C(5) 1.391(8) yes
C(4) C(14) 1.513(9) yes
C(5) C(15) 1.475(9) yes
C(6) C(7) 1.401(6) yes
C(6) C(16) 1.494(7) yes
C(7) C(8) 1.395(6) yes
C(7) C(22) 1.509(6) yes
C(8) C(9) 1.363(7) yes
C(8) H(1) 0.95 no
C(9) C(10) 1.387(7) yes
C(9) H(2) 0.95 no
C(10) H(3) 0.95 no
C(11) H(4) 0.95 no
C(11) H(5) 0.95 no
C(11) H(6) 0.95 no
C(12) H(7) 0.95 no
C(12) H(8) 0.95 no
C(12) H(9) 0.95 no
C(13) H(10) 0.95 no
C(13) H(11) 0.95 no
C(13) H(12) 0.95 no
C(14) H(13) 0.95 no
C(14) H(14) 0.95 no
C(14) H(15) 0.95 no
C(15) H(16) 0.95 no
C(15) H(17) 0.95 no
C(15) H(18) 0.95 no
C(16) C(17) 1.356(7) yes
C(16) C(21) 1.402(7) yes
C(17) C(18) 1.376(8) yes
C(17) H(19) 0.95 no
C(18) C(19) 1.349(10) yes
C(18) H(20) 0.95 no
C(19) C(20) 1.349(10) yes
C(19) H(21) 0.95 no
C(20) C(21) 1.386(8) yes
C(20) H(22) 0.95 no
C(21) H(23) 0.95 no
C(22) C(23) 1.384(7) yes
C(22) C(27) 1.416(7) yes
C(23) C(24) 1.374(8) yes
C(23) H(24) 0.95 no
C(24) C(25) 1.364(9) yes
C(24) H(25) 0.95 no
C(25) C(26) 1.366(9) yes
C(25) H(26) 0.95 no
C(26) C(27) 1.366(8) yes
C(26) H(27) 0.95 no
C(27) H(28) 0.95 no
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_2
_geom_contact_publ_flag
C(7) C(12) 3.576(9) 4_564 no
C(8) C(12) 3.514(9) 4_564 no
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 C(1) C(2) C(3) -65.9(3) no
Pt C(1) C(2) C(12) 118.5(6) no
Pt C(1) C(5) C(4) 63.8(4) no
Pt C(1) C(5) C(15) -120.7(6) no
Pt C(2) C(1) C(5) 65.7(4) no
Pt C(2) C(1) C(11) -118.2(6) no
Pt C(2) C(3) C(4) -63.3(4) no
Pt C(2) C(3) C(13) 122.7(5) no
Pt C(3) C(2) C(1) 64.6(4) no
Pt C(3) C(2) C(12) -119.6(6) no
Pt C(3) C(4) C(5) -63.2(4) no
Pt C(3) C(4) C(14) 124.1(6) no
Pt C(4) C(3) C(2) 61.3(4) no
Pt C(4) C(3) C(13) -124.8(6) no
Pt C(4) C(5) C(1) -62.0(4) no
Pt C(4) C(5) C(15) 122.4(6) no
Pt C(5) C(1) C(2) -64.7(4) no
Pt C(5) C(1) C(11) 119.2(6) no
Pt C(5) C(4) C(3) 63.7(4) no
Pt C(5) C(4) C(14) -123.2(5) no
Pt C(6) C(7) C(8) -4.1(7) no
Pt C(6) C(7) C(22) 176.2(3) no
Pt C(6) C(16) C(17) -97.1(5) no
Pt C(6) C(16) C(21) 81.0(5) no
Pt C(10) C(9) C(8) 4.9(9) no
C(1) Pt C(2) C(3) 114.0(5) no
C(1) Pt C(2) C(12) -125.0(11) no
C(1) Pt C(3) C(2) -38.4(3) no
C(1) Pt C(3) C(4) 78.7(4) no
C(1) Pt C(3) C(13) -158.5(9) no
C(1) Pt C(4) C(3) -80.3(4) no
C(1) Pt C(4) C(5) 37.8(3) no
C(1) Pt C(4) C(14) 155.9(9) no
C(1) Pt C(5) C(4) -116.3(5) no
C(1) Pt C(5) C(15) 122.8(9) no
C(1) Pt C(6) C(7) -134.9(9) no
C(1) Pt C(6) C(16) 39.3(11) no
C(1) Pt C(10) C(9) 167.8(5) no
C(1) C(2) Pt C(3) -114.0(5) no
C(1) C(2) Pt C(4) -78.4(4) no
C(1) C(2) Pt C(5) -37.5(3) no
C(1) C(2) Pt C(6) -177.9(3) no
C(1) C(2) Pt C(10) 59.7(4) no
C(1) C(2) C(3) C(4) 1.3(6) no
C(1) C(2) C(3) C(13) -172.7(5) no
C(1) C(5) Pt C(2) 37.5(4) no
C(1) C(5) Pt C(3) 80.7(4) no
C(1) C(5) Pt C(4) 116.3(5) no
C(1) C(5) Pt C(6) 160.4(4) no
C(1) C(5) Pt C(10) -76.5(4) no
C(1) C(5) C(4) C(3) 1.7(6) no
C(1) C(5) C(4) C(14) 174.8(5) no
C(2) Pt C(1) C(5) -116.2(5) no
C(2) Pt C(1) C(11) 121.7(10) no
C(2) Pt C(3) C(4) 117.1(5) no
C(2) Pt C(3) C(13) -120.1(10) no
C(2) Pt C(4) C(3) -38.3(4) no
C(2) Pt C(4) C(5) 79.8(4) no
C(2) Pt C(4) C(14) -162.0(9) no
C(2) Pt C(5) C(4) -78.8(4) no
C(2) Pt C(5) C(15) 160.3(8) no
C(2) Pt C(6) C(7) -128.7(4) no
C(2) Pt C(6) C(16) 45.5(5) no
C(2) Pt C(10) C(9) 136.9(5) no
C(2) C(1) Pt C(3) 39.3(4) no
C(2) C(1) Pt C(4) 79.3(4) no
C(2) C(1) Pt C(5) 116.2(5) no
C(2) C(1) Pt C(6) 7.8(12) no
C(2) C(1) Pt C(10) -131.0(4) no
C(2) C(1) C(5) C(4) -0.9(6) no
C(2) C(1) C(5) C(15) 174.6(6) no
C(2) C(3) Pt C(4) -117.1(5) no
C(2) C(3) Pt C(5) -80.5(4) no
C(2) C(3) Pt C(6) 135.3(3) no
C(2) C(3) Pt C(10) -13.7(8) no
C(2) C(3) C(4) C(5) -1.8(6) no
C(2) C(3) C(4) C(14) -174.6(5) no
C(3) Pt C(1) C(5) -76.8(4) no
C(3) Pt C(1) C(11) 161.1(10) no
C(3) Pt C(2) C(12) 121.0(11) no
C(3) Pt C(4) C(5) 118.1(5) no
C(3) Pt C(4) C(14) -123.8(9) no
C(3) Pt C(5) C(4) -35.6(3) no
C(3) Pt C(5) C(15) -156.5(8) no
C(3) Pt C(6) C(7) -163.8(4) no
C(3) Pt C(6) C(16) 10.5(4) no
C(3) Pt C(10) C(9) 146.4(6) no
C(3) C(2) Pt C(4) 35.6(3) no
C(3) C(2) Pt C(5) 76.5(4) no
C(3) C(2) Pt C(6) -63.9(4) no
C(3) C(2) Pt C(10) 173.7(4) no
C(3) C(2) C(1) C(5) -0.2(6) no
C(3) C(2) C(1) C(11) 175.9(6) no
C(3) C(4) Pt C(5) -118.1(5) no
C(3) C(4) Pt C(6) 87.7(4) no
C(3) C(4) Pt C(10) -138.8(4) no
C(3) C(4) C(5) C(15) -173.9(6) no
C(4) Pt C(1) C(5) -36.9(3) no
C(4) Pt C(1) C(11) -159.0(10) no
C(4) Pt C(2) C(12) 156.6(10) no
C(4) Pt C(3) C(13) 122.9(10) no
C(4) Pt C(5) C(15) -120.9(9) no
C(4) Pt C(6) C(7) 159.4(4) no
C(4) Pt C(6) C(16) -26.4(4) no
C(4) Pt C(10) C(9) -144.5(5) no
C(4) C(3) Pt C(5) 36.6(3) no
C(4) C(3) Pt C(6) -107.6(3) no
C(4) C(3) Pt C(10) 103.3(7) no
C(4) C(3) C(2) C(12) 177.1(5) no
C(4) C(5) Pt C(6) 44.1(5) no
C(4) C(5) Pt C(10) 167.2(3) no
C(4) C(5) C(1) C(11) -177.0(5) no
C(5) Pt C(1) C(11) -122.1(10) no
C(5) Pt C(2) C(12) -162.5(10) no
C(5) Pt C(3) C(13) 159.4(9) no
C(5) Pt C(4) C(14) 118.2(9) no
C(5) Pt C(6) C(7) 132.8(4) no
C(5) Pt C(6) C(16) -53.0(5) no
C(5) Pt C(10) C(9) -157.0(5) no
C(5) C(1) Pt C(6) -108.4(10) no
C(5) C(1) Pt C(10) 112.8(4) no
C(5) C(1) C(2) C(12) -175.8(6) no
C(5) C(4) Pt C(6) -154.3(3) no
C(5) C(4) Pt C(10) -20.7(5) no
C(5) C(4) C(3) C(13) 172.1(5) no
C(6) Pt C(1) C(11) 129.5(11) no
C(6) Pt C(2) C(12) 57.0(10) no
C(6) Pt C(3) C(13) 15.2(9) no
C(6) Pt C(4) C(14) -36.1(8) no
C(6) Pt C(5) C(15) -76.8(8) no
C(6) Pt C(10) C(9) -4.8(5) no
C(6) C(7) C(8) C(9) 2.4(8) no
C(6) C(7) C(22) C(23) 63.6(7) no
C(6) C(7) C(22) C(27) -118.2(5) no
C(6) C(16) C(17) C(18) 178.0(5) no
C(6) C(16) C(21) C(20) -178.0(5) no
C(7) C(6) Pt C(10) 4.4(4) no
C(7) C(6) C(16) C(17) 77.9(6) no
C(7) C(6) C(16) C(21) -104.0(5) no
C(7) C(8) C(9) C(10) -2.8(9) no
C(7) C(22) C(23) C(24) 176.7(5) no
C(7) C(22) C(27) C(26) -176.1(5) no
C(8) C(7) C(6) C(16) -178.2(4) no
C(8) C(7) C(22) C(23) -116.1(5) no
C(8) C(7) C(22) C(27) 62.1(6) no
C(9) C(8) C(7) C(22) -177.9(5) no
C(10) Pt C(1) C(11) -9.3(9) no
C(10) Pt C(2) C(12) -65.3(10) no
C(10) Pt C(3) C(13) -133.8(8) no
C(10) Pt C(4) C(14) 97.5(8) no
C(10) Pt C(5) C(15) 46.3(8) no
C(10) Pt C(6) C(16) 178.7(4) no
C(11) C(1) C(2) C(12) 0.3(10) no
C(11) C(1) C(5) C(15) -1.5(10) no
C(12) C(2) C(3) C(13) 3.1(9) no
C(13) C(3) C(4) C(14) -0.6(9) no
C(14) C(4) C(5) C(15) -0.8(9) no
C(16) C(6) C(7) C(22) 2.1(6) no
C(16) C(17) C(18) C(19) -0.6(10) no
C(16) C(21) C(20) C(19) 0.4(9) no
C(17) C(16) C(21) C(20) 0.2(7) no
C(17) C(18) C(19) C(20) 1.3(10) no
C(18) C(17) C(16) C(21) -0.1(8) no
C(18) C(19) C(20) C(21) -1.2(10) no
C(22) C(23) C(24) C(25) 0.7(9) no
C(22) C(27) C(26) C(25) -2.1(9) no
C(23) C(22) C(27) C(26) 2.3(8) no
C(23) C(24) C(25) C(26) -0.5(9) no
C(24) C(23) C(22) C(27) -1.6(8) no
C(24) C(25) C(26) C(27) 1.2(10) no
