#------------------------------------------------------------------------------
#$Date: 2016-03-26 03:50:16 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180198 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/94/7109430.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_7109430
loop_
_publ_author_name
'Zhong-Yu Li'
'Lin Xu'
'Cui-Hong Wang'
'Xiao-Li Zhao'
'Hai-Bo Yang'
_publ_section_title
;
 Novel platinum-acetylide metallocycles constructed via a stepwise
 fragment coupling approach and their aggregation behaviour
;
_journal_name_full               Chem.Commun.
_journal_page_first              6194
_journal_paper_doi               10.1039/c3cc42403k
_journal_volume                  49
_journal_year                    2013
_chemical_formula_sum            'C55 H12 Cl3 P4 Pt2'
_chemical_formula_weight         1293.06
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                109.142(2)
_cell_angle_beta                 94.876(2)
_cell_angle_gamma                101.713(2)
_cell_formula_units_Z            2
_cell_length_a                   9.7909(7)
_cell_length_b                   17.1119(12)
_cell_length_c                   19.0280(14)
_cell_measurement_temperature    296(2)
_cell_volume                     2909.1(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_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  0.0479
_diffrn_reflns_av_sigmaI/netI    0.0586
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            33947
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.15
_exptl_absorpt_coefficient_mu    5.082
_exptl_absorpt_correction_T_max  0.4787
_exptl_absorpt_correction_T_min  0.2693
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.476
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1218
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.17
_platon_squeeze_details
;
;
_refine_diff_density_max         5.619
_refine_diff_density_min         -3.548
_refine_diff_density_rms         0.223
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.113
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     522
_refine_ls_number_reflns         10204
_refine_ls_number_restraints     41
_refine_ls_restrained_S_all      1.113
_refine_ls_R_factor_all          0.1118
_refine_ls_R_factor_gt           0.0822
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1669P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2414
_refine_ls_wR_factor_ref         0.2626
_reflns_number_gt                6769
_reflns_number_total             10204
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3cc42403k.txt
_cod_data_source_block           z
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7109430
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
Pt1 Pt -0.20907(5) -0.77229(3) -0.85532(3) 0.0522(2) Uani 1 1 d .
Pt2 Pt 0.64283(7) -0.22824(4) -0.61943(4) 0.0769(3) Uani 1 1 d .
P1 P -0.3629(4) -0.7068(3) -0.8995(3) 0.0714(12) Uani 1 1 d .
P2 P -0.0688(5) -0.8372(4) -0.8015(3) 0.0922(16) Uani 1 1 d .
P3 P 0.5447(9) -0.1414(5) -0.6630(5) 0.154(4) Uani 1 1 d .
C1 C -0.6061(12) -0.9774(9) -0.8635(9) 0.057(4) Uani 1 1 d .
C2 C -0.6683(13) -1.0423(10) -0.9355(9) 0.062(4) Uani 1 1 d .
H2A H -0.6271 -1.0435 -0.9780 0.074 Uiso 1 1 calc R
C3 C -0.7846(16) -1.1004(10) -0.9408(10) 0.071(4) Uani 1 1 d .
H3A H -0.8253 -1.1403 -0.9883 0.085 Uiso 1 1 calc R
C4 C -0.8497(15) -1.1052(10) -0.8794(10) 0.069(4) Uani 1 1 d .
C5 C -0.9767(17) -1.1720(11) -0.8878(15) 0.103(7) Uani 1 1 d .
H5A H -1.0212 -1.2114 -0.9349 0.124 Uiso 1 1 calc R
C6 C -1.0274(17) -1.1737(11) -0.8228(10) 0.085(5) Uani 1 1 d .
H6A H -1.1041 -1.2179 -0.8266 0.102 Uiso 1 1 calc R
C7 C -0.9714(16) -1.1145(12) -0.7535(11) 0.083(5) Uani 1 1 d .
C8 C -1.028(2) -1.1155(14) -0.6850(11) 0.119(9) Uani 1 1 d .
H8A H -1.1043 -1.1598 -0.6880 0.142 Uiso 1 1 calc R
C9 C -0.973(2) -1.0527(13) -0.6166(14) 0.117(8) Uani 1 1 d .
H9A H -1.0149 -1.0537 -0.5748 0.140 Uiso 1 1 calc R
C10 C -0.851(2) -0.9851(11) -0.6074(10) 0.087(5) Uani 1 1 d .
C11 C -0.7931(15) -0.9849(12) -0.6744(10) 0.080(5) Uani 1 1 d .
C12 C -0.8521(14) -1.0446(9) -0.7441(8) 0.059(3) Uani 1 1 d .
C13 C -0.7884(12) -1.0419(9) -0.8074(8) 0.052(3) Uani 1 1 d .
C14 C -0.6683(12) -0.9763(8) -0.8034(7) 0.048(3) Uani 1 1 d .
C15 C -0.6087(14) -0.9133(10) -0.7282(9) 0.070(4) Uani 1 1 d .
H15A H -0.5262 -0.8717 -0.7216 0.084 Uiso 1 1 calc R
C16 C -0.6726(15) -0.9150(10) -0.6680(9) 0.069(4) Uani 1 1 d .
H16A H -0.6393 -0.8709 -0.6218 0.083 Uiso 1 1 calc R
C17 C -0.7927(18) -0.9195(13) -0.5320(10) 0.087(6) Uani 1 1 d .
C18 C -0.7371(18) -0.8669(10) -0.4771(10) 0.075(4) Uani 1 1 d .
C19 C -0.4812(14) -0.9110(10) -0.8580(8) 0.060(4) Uani 1 1 d .
C20 C -0.3757(13) -0.8576(8) -0.8552(7) 0.046(3) Uani 1 1 d .
C21 C -0.0347(15) -0.6814(9) -0.8559(7) 0.057(3) Uani 1 1 d .
C22 C 0.0584(15) -0.6324(8) -0.8582(10) 0.070(4) Uani 1 1 d .
C23 C 0.1811(14) -0.5745(8) -0.8731(9) 0.061(4) Uani 1 1 d .
C24 C 0.1950(16) -0.5846(11) -0.9474(9) 0.074(4) Uani 1 1 d .
H24A H 0.1298 -0.6258 -0.9873 0.088 Uiso 1 1 calc R
C25 C 0.3102(18) -0.5309(10) -0.9601(9) 0.073(4) Uani 1 1 d .
H25A H 0.3275 -0.5401 -1.0091 0.087 Uiso 1 1 calc R
C26 C 0.3958(16) -0.4666(9) -0.9031(10) 0.068(4) Uani 1 1 d .
H26A H 0.4687 -0.4299 -0.9134 0.081 Uiso 1 1 calc R
C27 C 0.3794(14) -0.4531(9) -0.8297(9) 0.060(3) Uani 1 1 d .
C28 C 0.2701(13) -0.5116(9) -0.8156(9) 0.063(4) Uani 1 1 d .
H28A H 0.2599 -0.5063 -0.7662 0.076 Uiso 1 1 calc R
C29 C 0.4672(16) -0.3871(11) -0.7712(11) 0.080(5) Uani 1 1 d .
C30 C 0.5400(16) -0.3258(10) -0.7099(10) 0.079(5) Uani 1 1 d .
C31 C -0.285(3) -0.6248(12) -0.9372(15) 0.111(7) Uani 1 1 d .
C32 C -0.232(2) -0.6613(17) -1.0117(17) 0.129(9) Uani 1 1 d .
C33 C -0.5024(17) -0.7825(11) -0.9749(11) 0.083(5) Uani 1 1 d .
C34 C -0.616(2) -0.7417(18) -1.0051(16) 0.139(10) Uani 1 1 d .
C35 C -0.458(3) -0.650(2) -0.8303(18) 0.153(10) Uiso 1 1 d .
C36 C -0.524(5) -0.687(3) -0.780(2) 0.208(16) Uiso 1 1 d .
C37 C 0.111(2) -0.8227(15) -0.8196(14) 0.102(7) Uani 1 1 d .
C38 C 0.127(2) -0.8564(17) -0.9026(15) 0.122(8) Uani 1 1 d .
C39 C -0.045(3) -0.796(2) -0.6944(18) 0.163(10) Uiso 1 1 d DU
C40 C -0.189(3) -0.791(3) -0.6724(18) 0.215(16) Uani 1 1 d DU
C41 C -0.145(3) -0.9560(18) -0.8210(16) 0.145(10) Uani 1 1 d DU
C42 C -0.172(3) -1.0124(19) -0.9035(18) 0.159(11) Uani 1 1 d DU
C43 C 0.604(5) -0.163(3) -0.771(2) 0.200(14) Uani 1 1 d DU
C44 C 0.559(4) -0.109(2) -0.813(2) 0.210(15) Uiso 1 1 d DU
C45 C 0.571(4) -0.030(3) -0.602(2) 0.230(19) Uani 1 1 d DU
C46 C 0.717(5) 0.014(3) -0.611(3) 0.224(17) Uiso 1 1 d DU
C47 C 0.376(7) -0.179(4) -0.707(3) 0.32(3) Uiso 1 1 d DU
C48 C 0.332(8) -0.170(5) -0.631(4) 0.33(3) Uiso 1 1 d DU
C49 C 0.8277(19) -0.3090(11) -0.6113(14) 0.113(8) Uani 1 1 d DU
C50 C 0.951(4) -0.2746(19) -0.545(2) 0.22(2) Uani 1 1 d DU
C51 C 0.647(4) -0.297(2) -0.4646(19) 0.167(12) Uiso 1 1 d D
C52 C 0.494(4) -0.306(4) -0.451(3) 0.32(3) Uiso 1 1 d D
C53 C 0.634(4) -0.427(3) -0.614(2) 0.192(14) Uiso 1 1 d D
C54 C 0.789(6) -0.398(9) -0.577(8) 0.66(10) Uiso 1 1 d D
C01 C -0.052(3) -0.392(4) 0.208(2) 0.30(3) Uani 1 1 d .
Cl3 Cl -0.2007(8) -0.3969(6) 0.2120(5) 0.174(3) Uani 1 1 d .
Cl2 Cl -0.0039(12) -0.4187(7) 0.1104(6) 0.205(4) Uani 1 1 d .
Cl1 Cl 0.0743(19) -0.367(2) 0.2652(10) 0.78(4) Uani 1 1 d .
P4 P 0.6866(8) -0.3175(5) -0.5599(4) 0.125(2) Uani 1 1 d .
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'
P P 0.1023 0.0942 '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'
Cl Cl 0.1484 0.1585 '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
C20 Pt1 C21 179.3(5) . .
C20 Pt1 P2 89.3(3) . .
C21 Pt1 P2 91.4(4) . .
C20 Pt1 P1 87.2(3) . .
C21 Pt1 P1 92.1(4) . .
P2 Pt1 P1 174.15(17) . .
C30 Pt2 C18 175.5(7) . 2_544
C30 Pt2 P3 89.2(5) . .
C18 Pt2 P3 92.4(5) 2_544 .
C30 Pt2 P4 91.0(5) . .
C18 Pt2 P4 86.3(5) 2_544 .
P3 Pt2 P4 163.8(4) . .
C30 Pt2 C49 88.5(6) . .
C18 Pt2 C49 92.1(7) 2_544 .
P3 Pt2 C49 153.1(7) . .
P4 Pt2 C49 43.1(6) . .
C35 P1 C33 103.8(12) . .
C35 P1 C31 102.2(13) . .
C33 P1 C31 105.1(9) . .
C35 P1 Pt1 115.2(10) . .
C33 P1 Pt1 112.5(5) . .
C31 P1 Pt1 116.5(8) . .
C37 P2 C39 102.8(11) . .
C37 P2 C41 108.5(12) . .
C39 P2 C41 99.1(13) . .
C37 P2 Pt1 115.5(7) . .
C39 P2 Pt1 113.4(9) . .
C41 P2 Pt1 115.5(7) . .
C47 P3 C45 109(2) . .
C47 P3 C43 87(2) . .
C45 P3 C43 116(2) . .
C47 P3 C48 43.1(16) . .
C45 P3 C48 89(2) . .
C43 P3 C48 130(2) . .
C47 P3 Pt2 118(2) . .
C45 P3 Pt2 118.9(11) . .
C43 P3 Pt2 103.3(10) . .
C48 P3 Pt2 98.9(18) . .
C14 C1 C2 119.2(12) . .
C14 C1 C19 121.1(14) . .
C2 C1 C19 119.7(13) . .
C3 C2 C1 119.5(14) . .
C3 C2 H2A 120.2 . .
C1 C2 H2A 120.2 . .
C2 C3 C4 123.8(16) . .
C2 C3 H3A 118.1 . .
C4 C3 H3A 118.1 . .
C3 C4 C13 117.4(13) . .
C3 C4 C5 121.9(17) . .
C13 C4 C5 120.7(16) . .
C6 C5 C4 117.0(19) . .
C6 C5 H5A 121.5 . .
C4 C5 H5A 121.5 . .
C7 C6 C5 123.6(16) . .
C7 C6 H6A 118.2 . .
C5 C6 H6A 118.2 . .
C6 C7 C12 120.6(16) . .
C6 C7 C8 123.2(15) . .
C12 C7 C8 116.2(16) . .
C9 C8 C7 121.4(17) . .
C9 C8 H8A 119.3 . .
C7 C8 H8A 119.3 . .
C8 C9 C10 122(2) . .
C8 C9 H9A 119.0 . .
C10 C9 H9A 119.0 . .
C9 C10 C11 116.6(17) . .
C9 C10 C17 120.0(17) . .
C11 C10 C17 123.4(15) . .
C12 C11 C10 122.3(15) . .
C12 C11 C16 119.2(15) . .
C10 C11 C16 118.3(16) . .
C11 C12 C13 119.5(12) . .
C11 C12 C7 121.3(15) . .
C13 C12 C7 118.9(13) . .
C12 C13 C4 118.9(12) . .
C12 C13 C14 123.0(12) . .
C4 C13 C14 118.0(12) . .
C1 C14 C13 121.8(13) . .
C1 C14 C15 122.0(12) . .
C13 C14 C15 115.9(11) . .
C16 C15 C14 120.6(13) . .
C16 C15 H15A 119.7 . .
C14 C15 H15A 119.7 . .
C15 C16 C11 121.3(15) . .
C15 C16 H16A 119.4 . .
C11 C16 H16A 119.4 . .
C18 C17 C10 173.4(19) . .
C17 C18 Pt2 178.2(17) . 2_544
C20 C19 C1 177.9(17) . .
C19 C20 Pt1 177.4(11) . .
C22 C21 Pt1 178.1(14) . .
C21 C22 C23 171.7(19) . .
C28 C23 C24 121.0(13) . .
C28 C23 C22 120.3(14) . .
C24 C23 C22 118.6(14) . .
C23 C24 C25 117.7(15) . .
C23 C24 H24A 121.1 . .
C25 C24 H24A 121.1 . .
C26 C25 C24 121.0(16) . .
C26 C25 H25A 119.5 . .
C24 C25 H25A 119.5 . .
C25 C26 C27 121.8(14) . .
C25 C26 H26A 119.1 . .
C27 C26 H26A 119.1 . .
C26 C27 C29 121.7(14) . .
C26 C27 C28 117.8(14) . .
C29 C27 C28 120.5(14) . .
C23 C28 C27 120.3(14) . .
C23 C28 H28A 119.8 . .
C27 C28 H28A 119.8 . .
C30 C29 C27 172.9(17) . .
C29 C30 Pt2 176.1(14) . .
C32 C31 P1 113.3(14) . .
C34 C33 P1 114.9(15) . .
C36 C35 P1 122(3) . .
C38 C37 P2 115.6(15) . .
C40 C39 P2 107(2) . .
C42 C41 P2 114.7(19) . .
C44 C43 P3 116(3) . .
C46 C45 P3 105(3) . .
C48 C47 P3 88(5) . .
C47 C48 P3 49(3) . .
C50 C49 P4 99(3) . .
C50 C49 C54 83(3) . .
P4 C49 C54 61(4) . .
C50 C49 Pt2 121.6(16) . .
P4 C49 Pt2 60.9(6) . .
C54 C49 Pt2 119(3) . .
C52 C51 P4 120(3) . .
C54 C53 P4 67(6) . .
C53 C54 P4 62(4) . .
C53 C54 C49 94(6) . .
P4 C54 C49 58(4) . .
Cl3 C01 Cl1 133(3) . .
Cl3 C01 Cl2 116.1(16) . .
Cl1 C01 Cl2 111(2) . .
C53 P4 C49 88.2(16) . .
C53 P4 C51 111.3(18) . .
C49 P4 C51 142.8(13) . .
C53 P4 C54 50(2) . .
C49 P4 C54 61(4) . .
C51 P4 C54 107(5) . .
C53 P4 Pt2 116.0(13) . .
C49 P4 Pt2 76.1(5) . .
C51 P4 Pt2 118.2(11) . .
C54 P4 Pt2 134(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 C20 1.957(13) .
Pt1 C21 2.066(15) .
Pt1 P2 2.302(4) .
Pt1 P1 2.306(4) .
Pt2 C30 1.975(16) .
Pt2 C18 2.005(18) 2_544
Pt2 P3 2.252(6) .
Pt2 P4 2.262(7) .
Pt2 C49 2.514(16) .
P1 C35 1.81(3) .
P1 C33 1.825(19) .
P1 C31 1.84(2) .
P2 C37 1.80(2) .
P2 C39 1.90(3) .
P2 C41 1.92(3) .
P3 C47 1.68(7) .
P3 C45 1.83(4) .
P3 C43 2.11(3) .
P3 C48 2.23(7) .
C1 C14 1.337(19) .
C1 C2 1.44(2) .
C1 C19 1.460(18) .
C2 C3 1.32(2) .
C2 H2A 0.9300 .
C3 C4 1.40(2) .
C3 H3A 0.9300 .
C4 C13 1.43(2) .
C4 C5 1.47(2) .
C5 C6 1.38(3) .
C5 H5A 0.9300 .
C6 C7 1.36(2) .
C6 H6A 0.9300 .
C7 C12 1.44(2) .
C7 C8 1.47(3) .
C8 C9 1.37(3) .
C8 H8A 0.9300 .
C9 C10 1.43(2) .
C9 H9A 0.9300 .
C10 C11 1.44(2) .
C10 C17 1.48(3) .
C11 C12 1.37(2) .
C11 C16 1.46(2) .
C12 C13 1.41(2) .
C13 C14 1.429(17) .
C14 C15 1.464(19) .
C15 C16 1.36(2) .
C15 H15A 0.9300 .
C16 H16A 0.9300 .
C17 C18 1.13(2) .
C18 Pt2 2.005(18) 2_544
C19 C20 1.216(18) .
C21 C22 1.121(18) .
C22 C23 1.504(18) .
C23 C28 1.34(2) .
C23 C24 1.39(2) .
C24 C25 1.40(2) .
C24 H24A 0.9300 .
C25 C26 1.33(2) .
C25 H25A 0.9300 .
C26 C27 1.37(2) .
C26 H26A 0.9300 .
C27 C29 1.37(2) .
C27 C28 1.418(19) .
C28 H28A 0.9300 .
C29 C30 1.31(2) .
C31 C32 1.53(4) .
C33 C34 1.59(2) .
C35 C36 1.44(5) .
C37 C38 1.53(3) .
C39 C40 1.517(10) .
C41 C42 1.516(10) .
C43 C44 1.521(10) .
C45 C46 1.518(10) .
C47 C48 1.524(10) .
C49 C50 1.538(10) .
C49 P4 1.77(3) .
C49 C54 1.83(14) .
C51 C52 1.523(10) .
C51 P4 1.82(3) .
C53 C54 1.522(10) .
C53 P4 1.75(4) .
C54 P4 1.83(13) .
C01 Cl3 1.45(3) .
C01 Cl1 1.47(3) .
C01 Cl2 1.88(4) .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
C20 Pt1 P1 C35 73.7(12) . .
C21 Pt1 P1 C35 -106.2(12) . .
P2 Pt1 P1 C35 21(2) . .
C20 Pt1 P1 C33 -45.0(7) . .
C21 Pt1 P1 C33 135.0(7) . .
P2 Pt1 P1 C33 -97.4(19) . .
C20 Pt1 P1 C31 -166.5(10) . .
C21 Pt1 P1 C31 13.5(10) . .
P2 Pt1 P1 C31 141.0(19) . .
C20 Pt1 P2 C37 154.0(10) . .
C21 Pt1 P2 C37 -26.1(10) . .
P1 Pt1 P2 C37 -153.7(18) . .
C20 Pt1 P2 C39 -87.7(11) . .
C21 Pt1 P2 C39 92.2(11) . .
P1 Pt1 P2 C39 -35(2) . .
C20 Pt1 P2 C41 25.7(12) . .
C21 Pt1 P2 C41 -154.4(12) . .
P1 Pt1 P2 C41 78(2) . .
C30 Pt2 P3 C47 37(3) . .
C18 Pt2 P3 C47 -138(3) 2_544 .
P4 Pt2 P3 C47 -53(3) . .
C49 Pt2 P3 C47 122(3) . .
C30 Pt2 P3 C45 172.8(19) . .
C18 Pt2 P3 C45 -2.9(18) 2_544 .
P4 Pt2 P3 C45 82(2) . .
C49 Pt2 P3 C45 -102(2) . .
C30 Pt2 P3 C43 -56.3(14) . .
C18 Pt2 P3 C43 128.0(14) 2_544 .
P4 Pt2 P3 C43 -147.1(16) . .
C49 Pt2 P3 C43 28.6(17) . .
C30 Pt2 P3 C48 79(2) . .
C18 Pt2 P3 C48 -97(2) 2_544 .
P4 Pt2 P3 C48 -12(2) . .
C49 Pt2 P3 C48 164(2) . .
C14 C1 C2 C3 -1(2) . .
C19 C1 C2 C3 -177.5(13) . .
C1 C2 C3 C4 -3(2) . .
C2 C3 C4 C13 2(2) . .
C2 C3 C4 C5 -178.6(14) . .
C3 C4 C5 C6 176.3(16) . .
C13 C4 C5 C6 -4(2) . .
C4 C5 C6 C7 4(3) . .
C5 C6 C7 C12 0(3) . .
C5 C6 C7 C8 178(2) . .
C6 C7 C8 C9 -177(2) . .
C12 C7 C8 C9 1(3) . .
C7 C8 C9 C10 -3(4) . .
C8 C9 C10 C11 2(3) . .
C8 C9 C10 C17 -179(2) . .
C9 C10 C11 C12 2(3) . .
C17 C10 C11 C12 -177.5(17) . .
C9 C10 C11 C16 177.4(17) . .
C17 C10 C11 C16 -2(3) . .
C10 C11 C12 C13 -178.7(16) . .
C16 C11 C12 C13 6(2) . .
C10 C11 C12 C7 -4(3) . .
C16 C11 C12 C7 -179.7(15) . .
C6 C7 C12 C11 -179.1(17) . .
C8 C7 C12 C11 3(3) . .
C6 C7 C12 C13 -4(2) . .
C8 C7 C12 C13 177.3(17) . .
C11 C12 C13 C4 179.0(14) . .
C7 C12 C13 C4 4(2) . .
C11 C12 C13 C14 -4(2) . .
C7 C12 C13 C14 -178.7(13) . .
C3 C4 C13 C12 179.6(13) . .
C5 C4 C13 C12 0(2) . .
C3 C4 C13 C14 2.3(19) . .
C5 C4 C13 C14 -177.2(12) . .
C2 C1 C14 C13 5.2(18) . .
C19 C1 C14 C13 -178.3(11) . .
C2 C1 C14 C15 178.4(12) . .
C19 C1 C14 C15 -5.1(19) . .
C12 C13 C14 C1 176.9(13) . .
C4 C13 C14 C1 -5.9(18) . .
C12 C13 C14 C15 3.3(18) . .
C4 C13 C14 C15 -179.5(12) . .
C1 C14 C15 C16 -178.5(14) . .
C13 C14 C15 C16 -4.9(19) . .
C14 C15 C16 C11 7(2) . .
C12 C11 C16 C15 -7(2) . .
C10 C11 C16 C15 176.7(16) . .
C9 C10 C17 C18 167(18) . .
C11 C10 C17 C18 -14(20) . .
C10 C17 C18 Pt2 106(54) . 2_544
C14 C1 C19 C20 151(38) . .
C2 C1 C19 C20 -33(39) . .
C1 C19 C20 Pt1 62(51) . .
C21 Pt1 C20 C19 53(62) . .
P2 Pt1 C20 C19 -134(27) . .
P1 Pt1 C20 C19 50(27) . .
C20 Pt1 C21 C22 -53(68) . .
P2 Pt1 C21 C22 134(40) . .
P1 Pt1 C21 C22 -51(40) . .
Pt1 C21 C22 C23 -33(47) . .
C21 C22 C23 C28 -169(10) . .
C21 C22 C23 C24 15(11) . .
C28 C23 C24 C25 4(2) . .
C22 C23 C24 C25 -179.4(13) . .
C23 C24 C25 C26 -7(2) . .
C24 C25 C26 C27 4(2) . .
C25 C26 C27 C29 -179.9(14) . .
C25 C26 C27 C28 2(2) . .
C24 C23 C28 C27 1(2) . .
C22 C23 C28 C27 -175.3(12) . .
C26 C27 C28 C23 -4(2) . .
C29 C27 C28 C23 177.7(13) . .
C26 C27 C29 C30 168(12) . .
C28 C27 C29 C30 -14(14) . .
C27 C29 C30 Pt2 -93(26) . .
C18 Pt2 C30 C29 103(23) 2_544 .
P3 Pt2 C30 C29 -7(22) . .
P4 Pt2 C30 C29 157(22) . .
C49 Pt2 C30 C29 -160(22) . .
C35 P1 C31 C32 -164.1(19) . .
C33 P1 C31 C32 -56.0(19) . .
Pt1 P1 C31 C32 69.4(19) . .
C35 P1 C33 C34 52.1(18) . .
C31 P1 C33 C34 -54.9(17) . .
Pt1 P1 C33 C34 177.3(12) . .
C33 P1 C35 C36 78(3) . .
C31 P1 C35 C36 -173(3) . .
Pt1 P1 C35 C36 -45(3) . .
C39 P2 C37 C38 175.7(19) . .
C41 P2 C37 C38 71.4(19) . .
Pt1 P2 C37 C38 -60.2(19) . .
C37 P2 C39 C40 170(3) . .
C41 P2 C39 C40 -78(3) . .
Pt1 P2 C39 C40 45(3) . .
C37 P2 C41 C42 -70(2) . .
C39 P2 C41 C42 -177(2) . .
Pt1 P2 C41 C42 62(2) . .
C47 P3 C43 C44 65(4) . .
C45 P3 C43 C44 -45(4) . .
C48 P3 C43 C44 69(4) . .
Pt2 P3 C43 C44 -177(3) . .
C47 P3 C45 C46 -140(3) . .
C43 P3 C45 C46 -44(3) . .
C48 P3 C45 C46 -179(3) . .
Pt2 P3 C45 C46 81(3) . .
C45 P3 C47 C48 -67(5) . .
C43 P3 C47 C48 176(4) . .
Pt2 P3 C47 C48 72(5) . .
C45 P3 C48 C47 119(5) . .
C43 P3 C48 C47 -5(6) . .
Pt2 P3 C48 C47 -121(4) . .
C30 Pt2 C49 C50 -175(3) . .
C18 Pt2 C49 C50 0(3) 2_544 .
P3 Pt2 C49 C50 100(3) . .
P4 Pt2 C49 C50 -82(3) . .
C30 Pt2 C49 P4 -93.2(8) . .
C18 Pt2 C49 P4 82.3(7) 2_544 .
P3 Pt2 C49 P4 -178.3(6) . .
C30 Pt2 C49 C54 -75(5) . .
C18 Pt2 C49 C54 101(5) 2_544 .
P3 Pt2 C49 C54 -160(5) . .
P4 Pt2 C49 C54 18(5) . .
P4 C53 C54 C49 -51(4) . .
C50 C49 C54 C53 158(7) . .
P4 C49 C54 C53 54(5) . .
Pt2 C49 C54 C53 36(9) . .
C50 C49 C54 P4 104(3) . .
Pt2 C49 C54 P4 -18(4) . .
C54 C53 P4 C49 53(6) . .
C54 C53 P4 C51 -95(7) . .
C54 C53 P4 Pt2 126(6) . .
C50 C49 P4 C53 -121.1(18) . .
C54 C49 P4 C53 -45(3) . .
Pt2 C49 P4 C53 117.4(13) . .
C50 C49 P4 C51 3(3) . .
C54 C49 P4 C51 80(4) . .
Pt2 C49 P4 C51 -119(2) . .
C50 C49 P4 C54 -77(4) . .
Pt2 C49 P4 C54 162(3) . .
C50 C49 P4 Pt2 121.5(14) . .
C54 C49 P4 Pt2 -162(3) . .
C52 C51 P4 C53 -72(4) . .
C52 C51 P4 C49 171(3) . .
C52 C51 P4 C54 -125(4) . .
C52 C51 P4 Pt2 66(4) . .
C49 C54 P4 C53 114(6) . .
C53 C54 P4 C49 -114(6) . .
C53 C54 P4 C51 104(4) . .
C49 C54 P4 C51 -142(2) . .
C53 C54 P4 Pt2 -90(5) . .
C49 C54 P4 Pt2 25(4) . .
C30 Pt2 P4 C53 5.7(17) . .
C18 Pt2 P4 C53 -178.0(17) 2_544 .
P3 Pt2 P4 C53 96.2(18) . .
C49 Pt2 P4 C53 -81.0(17) . .
C30 Pt2 P4 C49 86.6(8) . .
C18 Pt2 P4 C49 -97.0(8) 2_544 .
P3 Pt2 P4 C49 177.2(10) . .
C30 Pt2 P4 C51 -130.4(14) . .
C18 Pt2 P4 C51 45.9(14) 2_544 .
P3 Pt2 P4 C51 -39.9(17) . .
C49 Pt2 P4 C51 142.9(15) . .
C30 Pt2 P4 C54 64(3) . .
C18 Pt2 P4 C54 -119(3) 2_544 .
P3 Pt2 P4 C54 155(3) . .
C49 Pt2 P4 C54 -22(3) . .
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.001 0.500 0.500 384 132 ' '
