#------------------------------------------------------------------------------
#$Date: 2016-03-25 16:56:20 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179996 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/90/7029073.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_7029073
loop_
_publ_author_name
'Molon, Mariusz'
'Gemel, Christian'
'Fischer, Roland A.'
_publ_section_title
;
 Organogallium- and organozinc-rich palladium and platinum clusters.
;
_journal_issue                   8
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3114
_journal_page_last               3120
_journal_paper_doi               10.1039/c3dt53003e
_journal_volume                  43
_journal_year                    2014
_chemical_formula_moiety         '4(C6 H18 Ga3 P2 Pt2), 10(C10 H15), C20 H27 '
_chemical_formula_sum            'C144 H249 Ga12 P8 Pt8'
_chemical_formula_weight         4625.55
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 103.664(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            1
_cell_length_a                   17.9964(6)
_cell_length_b                   15.2155(4)
_cell_length_c                   18.3239(4)
_cell_measurement_reflns_used    200
_cell_measurement_temperature    105(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      3.03
_cell_volume                     4875.5(2)
_computing_cell_refinement       'CrysAlis RED 1.171.13, Oxford Diffraction'
_computing_data_collection       'CrysAlis CCD 1.171.13, Oxford Diffraction'
_computing_data_reduction        'CrysAlis RED 1.171.13, Oxford Diffraction'
_computing_molecular_graphics    SHELXL-97
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      105(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Sapphire2-CCD, Oxford Diffraction'
_diffrn_measurement_method       '560 images at 1.0 deg. in ω and 25 sec.'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0883
_diffrn_reflns_av_sigmaI/netI    0.0938
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            36232
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.03
_exptl_absorpt_coefficient_mu    7.439
_exptl_absorpt_correction_T_max  0.7307
_exptl_absorpt_correction_T_min  0.2977
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.575
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2229
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.05
_platon_squeeze_details
;
;
_refine_diff_density_max         1.812
_refine_diff_density_min         -2.718
_refine_diff_density_rms         0.194
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.957
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     433
_refine_ls_number_reflns         8910
_refine_ls_number_restraints     60
_refine_ls_restrained_S_all      0.965
_refine_ls_R_factor_all          0.0862
_refine_ls_R_factor_gt           0.0492
_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)+(0.0471P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0990
_refine_ls_wR_factor_ref         0.1114
_reflns_number_gt                5999
_reflns_number_total             8910
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt53003e.txt
_cod_data_source_block           1b
_cod_original_sg_symbol_H-M      'P 21/m '
_cod_database_code               7029073
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -y-1/2, 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 0.17878(3) 0.2500 0.01728(3) 0.02706(15) Uani 1 2 d S
C1 C 0.3338(9) 0.4742(8) -0.0061(7) 0.064(4) Uani 1 1 d .
P1 P 0.0898(2) 0.2500 -0.09050(19) 0.0338(9) Uani 1 2 d S
Ga1 Ga 0.27091(7) 0.37220(8) 0.05322(6) 0.0402(3) Uani 1 1 d .
Pt3 Pt 0.71104(3) 0.2500 0.50987(3) 0.02825(15) Uani 1 2 d S
C3 C 0.2337(8) 0.5241(8) 0.0433(7) 0.061(4) Uani 1 1 d .
P3 P 0.9074(2) 0.2500 0.3683(2) 0.0346(9) Uani 1 2 d S
Ga3 Ga 0.72512(7) 0.37270(7) 0.42488(6) 0.0362(3) Uani 1 1 d .
Pt2 Pt 0.28295(3) 0.2500 0.14462(3) 0.03198(16) Uani 1 2 d S
C2 C 0.2559(8) 0.4971(7) -0.0239(6) 0.048(3) Uani 1 1 d .
P2 P 0.3731(3) 0.2500 0.2514(2) 0.0463(11) Uani 1 2 d S
Ga2 Ga 0.14360(9) 0.2500 0.13863(8) 0.0297(4) Uani 1 2 d S
Pt4 Pt 0.81717(3) 0.2500 0.43322(3) 0.02650(15) Uani 1 2 d S
C4 C 0.2988(8) 0.5159(8) 0.1019(6) 0.059(4) Uani 1 1 d .
P4 P 0.6189(2) 0.2500 0.57266(19) 0.0385(10) Uani 1 2 d S
Ga4 Ga 0.84990(9) 0.2500 0.57113(7) 0.0286(4) Uani 1 2 d S
C6 C 0.3765(11) 0.4443(11) -0.0596(9) 0.115(6) Uani 1 1 d U
H6A H 0.3424 0.4114 -0.1000 0.172 Uiso 1 1 calc R
H6B H 0.4185 0.4062 -0.0341 0.172 Uiso 1 1 calc R
H6C H 0.3973 0.4952 -0.0809 0.172 Uiso 1 1 calc R
C5 C 0.3594(7) 0.4874(8) 0.0731(7) 0.057(3) Uani 1 1 d U
C7 C 0.2027(9) 0.4993(9) -0.1003(6) 0.082(5) Uani 1 1 d .
H7A H 0.2010 0.5590 -0.1207 0.123 Uiso 1 1 calc R
H7B H 0.1513 0.4819 -0.0964 0.123 Uiso 1 1 calc R
H7C H 0.2209 0.4585 -0.1336 0.123 Uiso 1 1 calc R
C19 C 0.3764(9) 0.3403(10) 0.3150(8) 0.097(5) Uani 1 1 d U
H19A H 0.4076 0.3241 0.3646 0.145 Uiso 1 1 calc R
H19B H 0.3244 0.3546 0.3191 0.145 Uiso 1 1 calc R
H19C H 0.3990 0.3916 0.2962 0.145 Uiso 1 1 calc R
C9 C 0.3009(13) 0.5389(12) 0.1827(8) 0.145(9) Uani 1 1 d .
H9A H 0.2757 0.5956 0.1846 0.218 Uiso 1 1 calc R
H9B H 0.3542 0.5426 0.2114 0.218 Uiso 1 1 calc R
H9C H 0.2743 0.4933 0.2045 0.218 Uiso 1 1 calc R
C8 C 0.1554(11) 0.5529(15) 0.0508(10) 0.146(9) Uani 1 1 d .
H8A H 0.1610 0.5955 0.0919 0.219 Uiso 1 1 calc R
H8B H 0.1268 0.5017 0.0616 0.219 Uiso 1 1 calc R
H8C H 0.1278 0.5803 0.0038 0.219 Uiso 1 1 calc R
C13 C 0.0121(9) 0.2500 0.1455(8) 0.038(4) Uani 1 2 d S
C12 C 0.0463(6) 0.3251(6) 0.1825(6) 0.037(3) Uani 1 1 d .
C11 C 0.1041(6) 0.2973(6) 0.2449(5) 0.034(2) Uani 1 1 d U
C10 C 0.4393(10) 0.4744(11) 0.1178(9) 0.107(6) Uani 1 1 d U
H10A H 0.4663 0.4349 0.0907 0.161 Uiso 1 1 calc R
H10B H 0.4384 0.4487 0.1666 0.161 Uiso 1 1 calc R
H10C H 0.4656 0.5313 0.1255 0.161 Uiso 1 1 calc R
C18 C 0.1231(10) 0.2500 -0.1775(7) 0.052(5) Uani 1 2 d S
H18A H 0.0789 0.2517 -0.2207 0.079 Uiso 1 2 calc SR
H18B H 0.1528 0.1966 -0.1799 0.079 Uiso 0.50 1 calc PR
H18C H 0.1552 0.3017 -0.1785 0.079 Uiso 0.50 1 calc PR
C17 C 0.0243(7) 0.3419(7) -0.1080(6) 0.050(3) Uani 1 1 d .
H17A H -0.0110 0.3348 -0.1573 0.076 Uiso 1 1 calc R
H17B H 0.0532 0.3966 -0.1073 0.076 Uiso 1 1 calc R
H17C H -0.0047 0.3440 -0.0691 0.076 Uiso 1 1 calc R
C16 C -0.0542(8) 0.2500 0.0761(8) 0.051(4) Uani 1 2 d S
H16A H -0.0447 0.2061 0.0402 0.076 Uiso 0.50 1 calc PR
H16B H -0.0587 0.3083 0.0527 0.076 Uiso 0.50 1 calc PR
H16C H -0.1017 0.2356 0.0907 0.076 Uiso 0.50 1 calc PR
C15 C 0.0249(8) 0.4181(7) 0.1617(7) 0.067(4) Uani 1 1 d .
H15A H 0.0158 0.4250 0.1071 0.100 Uiso 1 1 calc R
H15B H 0.0665 0.4571 0.1865 0.100 Uiso 1 1 calc R
H15C H -0.0217 0.4332 0.1778 0.100 Uiso 1 1 calc R
C14 C 0.1543(7) 0.3558(8) 0.3003(6) 0.056(3) Uani 1 1 d .
H14A H 0.1773 0.4002 0.2737 0.084 Uiso 1 1 calc R
H14B H 0.1948 0.3209 0.3326 0.084 Uiso 1 1 calc R
H14C H 0.1239 0.3850 0.3311 0.084 Uiso 1 1 calc R
C21 C 0.7679(7) 0.5191(7) 0.4347(6) 0.047(3) Uani 1 1 d .
C20 C 0.4715(10) 0.2500 0.2425(10) 0.062(5) Uani 1 2 d S
H20A H 0.5057 0.2371 0.2914 0.094 Uiso 0.50 1 calc PR
H20B H 0.4840 0.3078 0.2251 0.094 Uiso 0.50 1 calc PR
H20C H 0.4778 0.2050 0.2061 0.094 Uiso 0.50 1 calc PR
C24 C 0.6409(8) 0.4925(8) 0.4080(10) 0.070(4) Uani 1 1 d .
C23 C 0.6666(8) 0.4832(7) 0.3418(7) 0.059(4) Uani 1 1 d .
C22 C 0.7447(7) 0.5004(6) 0.3582(5) 0.034(3) Uani 1 1 d .
C40 C 0.5202(9) 0.2500 0.5151(9) 0.062(5) Uani 1 2 d S
H40A H 0.4845 0.2539 0.5479 0.093 Uiso 0.50 1 calc PR
H40B H 0.5107 0.1956 0.4858 0.093 Uiso 0.50 1 calc PR
H40C H 0.5128 0.3005 0.4810 0.093 Uiso 0.50 1 calc PR
C39 C 0.6122(8) 0.3425(9) 0.6349(7) 0.076(4) Uani 1 1 d .
H39A H 0.6078 0.3975 0.6063 0.114 Uiso 1 1 calc R
H39B H 0.6582 0.3444 0.6761 0.114 Uiso 1 1 calc R
H39C H 0.5670 0.3351 0.6554 0.114 Uiso 1 1 calc R
C38 C 0.8750(11) 0.2500 0.2662(7) 0.057(5) Uani 1 2 d S
H38A H 0.8596 0.1904 0.2487 0.086 Uiso 0.50 1 calc PR
H38B H 0.9166 0.2699 0.2441 0.086 Uiso 0.50 1 calc PR
H38C H 0.8312 0.2898 0.2510 0.086 Uiso 0.50 1 calc PR
C37 C 0.9728(7) 0.1569(8) 0.3827(6) 0.059(3) Uani 1 1 d .
H37A H 0.9439 0.1025 0.3685 0.088 Uiso 1 1 calc R
H37B H 0.9999 0.1539 0.4358 0.088 Uiso 1 1 calc R
H37C H 1.0099 0.1641 0.3517 0.088 Uiso 1 1 calc R
C36 C 1.0485(10) 0.2500 0.6025(8) 0.057(5) Uani 1 2 d S
H36A H 1.0553 0.1910 0.5837 0.086 Uiso 0.25 1 calc PR
H36B H 1.0946 0.2671 0.6400 0.086 Uiso 0.25 1 calc PR
H36C H 1.0393 0.2919 0.5607 0.086 Uiso 0.25 1 calc PR
C35 C 0.9695(8) 0.4180(7) 0.6509(7) 0.066(4) Uani 1 1 d .
H35A H 0.9780 0.4256 0.6004 0.100 Uiso 1 1 calc R
H35B H 1.0166 0.4319 0.6884 0.100 Uiso 1 1 calc R
H35C H 0.9286 0.4576 0.6575 0.100 Uiso 1 1 calc R
C34 C 0.8384(7) 0.3543(9) 0.7287(6) 0.073(4) Uani 1 1 d .
H34A H 0.8325 0.4110 0.7026 0.109 Uiso 1 1 calc R
H34B H 0.8610 0.3636 0.7823 0.109 Uiso 1 1 calc R
H34C H 0.7881 0.3265 0.7224 0.109 Uiso 1 1 calc R
C33 C 0.9824(9) 0.2500 0.6374(7) 0.033(4) Uani 1 2 d S
C32 C 0.9467(6) 0.3238(6) 0.6609(5) 0.034(3) Uani 1 1 d .
C31 C 0.8890(6) 0.2965(6) 0.6967(5) 0.037(3) Uani 1 1 d U
C30 C 0.7078(12) 0.5321(12) 0.5491(10) 0.131(7) Uani 1 1 d U
H30A H 0.7137 0.5949 0.5609 0.196 Uiso 1 1 calc R
H30B H 0.7515 0.4998 0.5793 0.196 Uiso 1 1 calc R
H30C H 0.6605 0.5106 0.5605 0.196 Uiso 1 1 calc R
C29 C 0.5598(12) 0.4838(12) 0.4187(10) 0.136(7) Uani 1 1 d U
H29A H 0.5251 0.4684 0.3707 0.205 Uiso 1 1 calc R
H29B H 0.5439 0.5398 0.4366 0.205 Uiso 1 1 calc R
H29C H 0.5583 0.4377 0.4556 0.205 Uiso 1 1 calc R
C28 C 0.6166(11) 0.4614(11) 0.2671(9) 0.118(6) Uani 1 1 d U
H28A H 0.5950 0.5155 0.2418 0.176 Uiso 1 1 calc R
H28B H 0.5750 0.4228 0.2738 0.176 Uiso 1 1 calc R
H28C H 0.6468 0.4313 0.2366 0.176 Uiso 1 1 calc R
C27 C 0.7954(10) 0.5018(9) 0.3039(7) 0.093(6) Uani 1 1 d .
H27A H 0.7718 0.5379 0.2604 0.139 Uiso 1 1 calc R
H27B H 0.8023 0.4417 0.2874 0.139 Uiso 1 1 calc R
H27C H 0.8453 0.5266 0.3286 0.139 Uiso 1 1 calc R
C26 C 0.8499(10) 0.5378(11) 0.4737(9) 0.110(6) Uani 1 1 d U
H26A H 0.8806 0.4845 0.4739 0.165 Uiso 1 1 calc R
H26B H 0.8527 0.5562 0.5256 0.165 Uiso 1 1 calc R
H26C H 0.8699 0.5848 0.4471 0.165 Uiso 1 1 calc R
C25 C 0.7042(10) 0.5180(8) 0.4654(8) 0.072(5) 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'
Ga Ga 0.2307 1.6083 '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
P1 Pt1 Ga2 121.19(11) . .
P1 Pt1 Ga1 122.12(6) . .
Ga2 Pt1 Ga1 93.38(4) . .
P1 Pt1 Ga1 122.12(6) . 4_565
Ga2 Pt1 Ga1 93.38(4) . 4_565
Ga1 Pt1 Ga1 97.42(6) . 4_565
P1 Pt1 Pt2 179.66(11) . .
Ga2 Pt1 Pt2 58.47(4) . .
Ga1 Pt1 Pt2 58.04(3) . .
Ga1 Pt1 Pt2 58.04(3) 4_565 .
C2 C1 C5 105.4(11) . .
C2 C1 C6 125.3(14) . .
C5 C1 C6 129.3(15) . .
C2 C1 Ga1 73.0(7) . .
C5 C1 Ga1 72.3(6) . .
C6 C1 Ga1 119.8(10) . .
C17 P1 C17 101.4(8) 4_565 .
C17 P1 C18 100.3(5) 4_565 .
C17 P1 C18 100.3(5) . .
C17 P1 Pt1 117.3(3) 4_565 .
C17 P1 Pt1 117.3(3) . .
C18 P1 Pt1 117.2(6) . .
C1 Ga1 C5 35.6(4) . .
C1 Ga1 C2 34.9(4) . .
C5 Ga1 C2 57.6(4) . .
C1 Ga1 C4 58.6(4) . .
C5 Ga1 C4 34.3(4) . .
C2 Ga1 C4 57.5(4) . .
C1 Ga1 C3 58.8(4) . .
C5 Ga1 C3 57.2(5) . .
C2 Ga1 C3 35.3(4) . .
C4 Ga1 C3 34.0(4) . .
C1 Ga1 Pt1 138.0(4) . .
C5 Ga1 Pt1 173.5(3) . .
C2 Ga1 Pt1 118.3(3) . .
C4 Ga1 Pt1 149.6(4) . .
C3 Ga1 Pt1 123.1(3) . .
C1 Ga1 Pt2 147.0(4) . .
C5 Ga1 Pt2 120.6(3) . .
C2 Ga1 Pt2 174.1(3) . .
C4 Ga1 Pt2 117.5(3) . .
C3 Ga1 Pt2 138.7(3) . .
Pt1 Ga1 Pt2 64.03(3) . .
P4 Pt3 Ga3 121.48(5) . 4_565
P4 Pt3 Ga3 121.48(5) . .
Ga3 Pt3 Ga3 97.55(5) 4_565 .
P4 Pt3 Ga4 123.89(10) . .
Ga3 Pt3 Ga4 92.44(4) 4_565 .
Ga3 Pt3 Ga4 92.44(4) . .
P4 Pt3 Pt4 178.76(10) . .
Ga3 Pt3 Pt4 57.94(3) 4_565 .
Ga3 Pt3 Pt4 57.94(3) . .
Ga4 Pt3 Pt4 57.36(4) . .
C4 C3 C2 106.3(12) . .
C4 C3 C8 125.9(13) . .
C2 C3 C8 127.8(13) . .
C4 C3 Ga1 71.8(7) . .
C2 C3 Ga1 70.2(7) . .
C8 C3 Ga1 121.4(12) . .
C37 P3 C37 102.1(9) . 4_565
C37 P3 C38 100.9(5) . .
C37 P3 C38 100.9(5) 4_565 .
C37 P3 Pt4 116.8(4) . .
C37 P3 Pt4 116.8(4) 4_565 .
C38 P3 Pt4 116.8(6) . .
C24 Ga3 C23 34.8(5) . .
C24 Ga3 C21 57.5(5) . .
C23 Ga3 C21 57.2(4) . .
C24 Ga3 C22 57.6(4) . .
C23 Ga3 C22 34.3(4) . .
C21 Ga3 C22 34.4(3) . .
C24 Ga3 C25 34.6(5) . .
C23 Ga3 C25 57.2(5) . .
C21 Ga3 C25 34.2(4) . .
C22 Ga3 C25 56.9(4) . .
C24 Ga3 Pt4 175.3(4) . .
C23 Ga3 Pt4 140.5(4) . .
C21 Ga3 Pt4 120.5(3) . .
C22 Ga3 Pt4 118.2(3) . .
C25 Ga3 Pt4 146.1(4) . .
C24 Ga3 Pt3 120.6(4) . .
C23 Ga3 Pt3 148.2(4) . .
C21 Ga3 Pt3 138.2(2) . .
C22 Ga3 Pt3 172.6(2) . .
C25 Ga3 Pt3 117.0(3) . .
Pt4 Ga3 Pt3 63.91(3) . .
P2 Pt2 Ga1 121.55(6) . 4_565
P2 Pt2 Ga1 121.55(6) . .
Ga1 Pt2 Ga1 97.27(5) 4_565 .
P2 Pt2 Ga2 123.84(12) . .
Ga1 Pt2 Ga2 92.52(4) 4_565 .
Ga1 Pt2 Ga2 92.52(4) . .
P2 Pt2 Pt1 178.90(12) . .
Ga1 Pt2 Pt1 57.93(3) 4_565 .
Ga1 Pt2 Pt1 57.93(3) . .
Ga2 Pt2 Pt1 57.26(4) . .
C1 C2 C3 109.5(11) . .
C1 C2 C7 127.2(12) . .
C3 C2 C7 123.1(13) . .
C1 C2 Ga1 72.1(7) . .
C3 C2 Ga1 74.4(7) . .
C7 C2 Ga1 122.6(8) . .
C19 P2 C19 100.0(11) . 4_565
C19 P2 C20 100.1(7) . .
C19 P2 C20 100.1(7) 4_565 .
C19 P2 Pt2 118.5(5) . .
C19 P2 Pt2 118.5(5) 4_565 .
C20 P2 Pt2 116.4(6) . .
C11 Ga2 C11 35.9(5) . 4_565
C11 Ga2 C12 58.3(3) . 4_565
C11 Ga2 C12 34.9(3) 4_565 4_565
C11 Ga2 C12 34.9(3) . .
C11 Ga2 C12 58.3(3) 4_565 .
C12 Ga2 C12 57.3(5) 4_565 .
C11 Ga2 C13 57.3(4) . .
C11 Ga2 C13 57.3(4) 4_565 .
C12 Ga2 C13 33.9(3) 4_565 .
C12 Ga2 C13 33.9(3) . .
C11 Ga2 Pt1 161.7(2) . .
C11 Ga2 Pt1 161.7(2) 4_565 .
C12 Ga2 Pt1 132.3(3) 4_565 .
C12 Ga2 Pt1 132.3(3) . .
C13 Ga2 Pt1 121.1(3) . .
C11 Ga2 Pt2 117.7(3) . .
C11 Ga2 Pt2 117.7(3) 4_565 .
C12 Ga2 Pt2 143.1(3) 4_565 .
C12 Ga2 Pt2 143.1(3) . .
C13 Ga2 Pt2 174.6(3) . .
Pt1 Ga2 Pt2 64.27(4) . .
P3 Pt4 Ga4 121.45(11) . .
P3 Pt4 Ga3 121.88(5) . 4_565
Ga4 Pt4 Ga3 93.32(4) . 4_565
P3 Pt4 Ga3 121.88(5) . .
Ga4 Pt4 Ga3 93.32(4) . .
Ga3 Pt4 Ga3 97.84(6) 4_565 .
P3 Pt4 Pt3 179.93(10) . .
Ga4 Pt4 Pt3 58.48(4) . .
Ga3 Pt4 Pt3 58.15(3) 4_565 .
Ga3 Pt4 Pt3 58.15(3) . .
C5 C4 C3 109.2(11) . .
C5 C4 C9 127.1(14) . .
C3 C4 C9 123.7(14) . .
C5 C4 Ga1 71.6(7) . .
C3 C4 Ga1 74.2(7) . .
C9 C4 Ga1 122.4(10) . .
C39 P4 C39 100.4(9) . 4_565
C39 P4 C40 99.2(6) . .
C39 P4 C40 99.2(6) 4_565 .
C39 P4 Pt3 119.1(4) . .
C39 P4 Pt3 119.1(4) 4_565 .
C40 P4 Pt3 116.1(5) . .
C31 Ga4 C31 35.1(5) . 4_565
C31 Ga4 C32 34.8(3) . .
C31 Ga4 C32 57.6(3) 4_565 .
C31 Ga4 C32 57.6(3) . 4_565
C31 Ga4 C32 34.8(3) 4_565 4_565
C32 Ga4 C32 56.4(5) . 4_565
C31 Ga4 C33 58.3(4) . .
C31 Ga4 C33 58.3(4) 4_565 .
C32 Ga4 C33 34.3(3) . .
C32 Ga4 C33 34.3(3) 4_565 .
C31 Ga4 Pt4 162.0(2) . .
C31 Ga4 Pt4 162.0(2) 4_565 .
C32 Ga4 Pt4 132.1(3) . .
C32 Ga4 Pt4 132.1(3) 4_565 .
C33 Ga4 Pt4 119.2(3) . .
C31 Ga4 Pt3 118.6(3) . .
C31 Ga4 Pt3 118.6(3) 4_565 .
C32 Ga4 Pt3 143.8(3) . .
C32 Ga4 Pt3 143.8(3) 4_565 .
C33 Ga4 Pt3 176.7(3) . .
Pt4 Ga4 Pt3 64.16(4) . .
C4 C5 C1 109.6(11) . .
C4 C5 C10 125.1(13) . .
C1 C5 C10 125.3(14) . .
C4 C5 Ga1 74.1(8) . .
C1 C5 Ga1 72.1(7) . .
C10 C5 Ga1 121.3(9) . .
C12 C13 C12 109.9(14) . 4_565
C12 C13 C16 125.0(7) . .
C12 C13 C16 125.0(7) 4_565 .
C12 C13 Ga2 72.4(8) . .
C12 C13 Ga2 72.4(8) 4_565 .
C16 C13 Ga2 122.9(9) . .
C13 C12 C11 107.7(10) . .
C13 C12 C15 126.5(11) . .
C11 C12 C15 125.8(10) . .
C13 C12 Ga2 73.6(7) . .
C11 C12 Ga2 70.7(6) . .
C15 C12 Ga2 122.3(7) . .
C12 C11 C11 107.4(6) . 4_565
C12 C11 C14 125.8(9) . .
C11 C11 C14 126.8(6) 4_565 .
C12 C11 Ga2 74.4(5) . .
C11 C11 Ga2 72.1(2) 4_565 .
C14 C11 Ga2 119.9(7) . .
C25 C21 C22 108.9(11) . .
C25 C21 C26 128.2(12) . .
C22 C21 C26 122.9(12) . .
C25 C21 Ga3 74.5(7) . .
C22 C21 Ga3 73.4(6) . .
C26 C21 Ga3 118.8(9) . .
C23 C24 C25 107.4(12) . .
C23 C24 C29 128.5(17) . .
C25 C24 C29 123.9(16) . .
C23 C24 Ga3 72.6(7) . .
C25 C24 Ga3 74.5(8) . .
C29 C24 Ga3 121.7(10) . .
C22 C23 C24 108.4(11) . .
C22 C23 C28 127.0(15) . .
C24 C23 C28 124.5(16) . .
C22 C23 Ga3 73.7(6) . .
C24 C23 Ga3 72.5(7) . .
C28 C23 Ga3 121.2(9) . .
C23 C22 C21 107.7(10) . .
C23 C22 C27 127.0(11) . .
C21 C22 C27 125.3(12) . .
C23 C22 Ga3 72.0(6) . .
C21 C22 Ga3 72.2(6) . .
C27 C22 Ga3 122.8(8) . .
C32 C33 C32 105.5(13) 4_565 .
C32 C33 C36 127.1(7) 4_565 .
C32 C33 C36 127.1(7) . .
C32 C33 Ga4 71.7(7) 4_565 .
C32 C33 Ga4 71.7(7) . .
C36 C33 Ga4 125.8(9) . .
C33 C32 C31 110.2(9) . .
C33 C32 C35 124.1(10) . .
C31 C32 C35 125.7(10) . .
C33 C32 Ga4 74.0(7) . .
C31 C32 Ga4 71.6(5) . .
C35 C32 Ga4 122.6(7) . .
C32 C31 C31 107.1(6) . 4_565
C32 C31 C34 126.5(10) . .
C31 C31 C34 126.4(7) 4_565 .
C32 C31 Ga4 73.6(5) . .
C31 C31 Ga4 72.5(2) 4_565 .
C34 C31 Ga4 119.7(7) . .
C21 C25 C24 107.4(11) . .
C21 C25 C30 123.9(15) . .
C24 C25 C30 128.3(15) . .
C21 C25 Ga3 71.3(7) . .
C24 C25 Ga3 70.9(6) . .
C30 C25 Ga3 117.8(10) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 P1 2.230(4) .
Pt1 Ga2 2.4515(15) .
Pt1 Ga1 2.4747(12) .
Pt1 Ga1 2.4747(12) 4_565
Pt1 Pt2 2.6255(7) .
C1 C2 1.405(17) .
C1 C5 1.430(17) .
C1 C6 1.454(19) .
C1 Ga1 2.335(11) .
P1 C17 1.806(10) 4_565
P1 C17 1.806(10) .
P1 C18 1.831(14) .
Ga1 C5 2.338(11) .
Ga1 C2 2.346(11) .
Ga1 C4 2.370(12) .
Ga1 C3 2.401(13) .
Ga1 Pt2 2.4775(11) .
Pt3 P4 2.230(4) .
Pt3 Ga3 2.4823(11) 4_565
Pt3 Ga3 2.4823(11) .
Pt3 Ga4 2.4859(17) .
Pt3 Pt4 2.6246(8) .
C3 C4 1.395(17) .
C3 C2 1.442(15) .
C3 C8 1.51(2) .
P3 C37 1.822(11) .
P3 C37 1.822(11) 4_565
P3 C38 1.823(14) .
P3 Pt4 2.228(4) .
Ga3 C24 2.343(12) .
Ga3 C23 2.344(10) .
Ga3 C21 2.350(10) .
Ga3 C22 2.365(9) .
Ga3 C25 2.390(12) .
Ga3 Pt4 2.4767(12) .
Pt2 P2 2.227(4) .
Pt2 Ga1 2.4775(11) 4_565
Pt2 Ga2 2.4842(17) .
C2 C7 1.497(15) .
P2 C19 1.794(13) .
P2 C19 1.794(13) 4_565
P2 C20 1.816(19) .
Ga2 C11 2.338(8) .
Ga2 C11 2.338(8) 4_565
Ga2 C12 2.385(10) 4_565
Ga2 C12 2.385(10) .
Ga2 C13 2.400(15) .
Pt4 Ga4 2.4554(14) .
Pt4 Ga3 2.4767(12) 4_565
C4 C5 1.388(17) .
C4 C9 1.514(17) .
P4 C39 1.833(12) .
P4 C39 1.833(12) 4_565
P4 C40 1.840(17) .
Ga4 C31 2.350(9) .
Ga4 C31 2.350(9) 4_565
Ga4 C32 2.377(9) .
Ga4 C32 2.377(9) 4_565
Ga4 C33 2.407(15) .
C5 C10 1.489(19) .
C13 C12 1.396(13) .
C13 C12 1.396(13) 4_565
C13 C16 1.52(2) .
C12 C11 1.417(14) .
C12 C15 1.491(14) .
C11 C11 1.440(19) 4_565
C11 C14 1.485(14) .
C21 C25 1.392(17) .
C21 C22 1.393(13) .
C21 C26 1.508(19) .
C24 C23 1.404(18) .
C24 C25 1.409(19) .
C24 C29 1.52(2) .
C23 C22 1.391(17) .
C23 C28 1.487(18) .
C22 C27 1.501(16) .
C36 C33 1.48(2) .
C35 C32 1.514(14) .
C34 C31 1.484(14) .
C33 C32 1.412(13) 4_565
C33 C32 1.412(13) .
C32 C31 1.414(14) .
C31 C31 1.416(19) 4_565
C30 C25 1.535(19) .
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
1 0.494 0.250 0.849 476.5 36.4
2 0.506 0.750 0.151 476.5 38.0
