#------------------------------------------------------------------------------
#$Date: 2016-03-25 16:56:20 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179996 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/90/7029072.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_7029072
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         'C6 H18 Ga3 P2 Pd2, 3(C10 H15)'
_chemical_formula_sum            'C36 H63 Ga3 P2 Pd2'
_chemical_formula_weight         979.76
_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                 103.738(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.0920(5)
_cell_length_b                   15.1214(4)
_cell_length_c                   18.3971(4)
_cell_measurement_reflns_used    200
_cell_measurement_temperature    105(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      2.93
_cell_volume                     4889.0(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  0.0645
_diffrn_reflns_av_sigmaI/netI    0.0532
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            44900
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.93
_exptl_absorpt_coefficient_mu    2.438
_exptl_absorpt_correction_T_max  0.8326
_exptl_absorpt_correction_T_min  0.4507
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.331
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1976
_exptl_crystal_size_max          0.39
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.08
_platon_squeeze_details
;
;
_refine_diff_density_max         1.304
_refine_diff_density_min         -1.474
_refine_diff_density_rms         0.125
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     438
_refine_ls_number_reflns         8937
_refine_ls_number_restraints     48
_refine_ls_restrained_S_all      1.097
_refine_ls_R_factor_all          0.0716
_refine_ls_R_factor_gt           0.0466
_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)+(0.0692P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1154
_refine_ls_wR_factor_ref         0.1254
_reflns_number_gt                6445
_reflns_number_total             8937
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt53003e.txt
_cod_data_source_block           1a
_cod_original_sg_symbol_H-M      'P 21/m'
_cod_database_code               7029072
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
Pd4 Pd 0.18001(3) 0.7500 0.01640(3) 0.02258(16) Uani 1 2 d S
C4 C 0.6407(4) 0.5042(5) -0.5916(5) 0.060(2) Uani 1 1 d U
P4 P 0.08984(12) 0.7500 -0.09299(11) 0.0271(5) Uani 1 2 d S
Ga4 Ga 0.14418(5) 0.7500 0.13710(5) 0.0264(2) Uani 1 2 d S
Pd3 Pd 0.28332(4) 0.7500 0.14345(3) 0.02720(17) Uani 1 2 d S
C3 C 0.6649(4) 0.5140(4) -0.6584(4) 0.053(2) Uani 1 1 d U
P3 P 0.37511(14) 0.7500 0.25168(12) 0.0443(7) Uani 1 2 d S
Ga3 Ga 0.27134(4) 0.62616(5) 0.05246(4) 0.0406(2) Uani 1 1 d .
Pd2 Pd 0.71149(3) 0.7500 -0.49117(3) 0.02518(17) Uani 1 2 d S
C2 C 0.7436(4) 0.4970(4) -0.6434(3) 0.0330(15) Uani 1 1 d .
P2 P 0.61844(13) 0.7500 -0.42689(11) 0.0331(6) Uani 1 2 d S
Ga2 Ga 0.85055(5) 0.7500 -0.43172(4) 0.0258(2) Uani 1 2 d S
Pd1 Pd 0.81547(3) 0.7500 -0.56927(3) 0.02330(16) Uani 1 2 d S
C1 C 0.7675(4) 0.4784(6) -0.5674(3) 0.061(2) Uani 1 1 d .
P1 P 0.90645(13) 0.7500 -0.63619(12) 0.0304(5) Uani 1 2 d S
Ga1 Ga 0.72367(4) 0.62624(5) -0.57665(4) 0.0408(2) Uani 1 1 d .
C9 C 0.5611(6) 0.5118(8) -0.5772(8) 0.130(4) Uani 1 1 d U
H9A H 0.5255 0.5335 -0.6224 0.195 Uiso 1 1 calc R
H9B H 0.5623 0.5531 -0.5359 0.195 Uiso 1 1 calc R
H9C H 0.5444 0.4535 -0.5640 0.195 Uiso 1 1 calc R
C10 C 0.7056(8) 0.4666(9) -0.4522(6) 0.146(5) Uani 1 1 d U
H10A H 0.7375 0.4152 -0.4337 0.219 Uiso 1 1 calc R
H10B H 0.6538 0.4560 -0.4467 0.219 Uiso 1 1 calc R
H10C H 0.7266 0.5190 -0.4232 0.219 Uiso 1 1 calc R
C11 C 0.8897(3) 0.7046(4) -0.3052(3) 0.0278(13) Uani 1 1 d .
C12 C 0.9463(3) 0.6743(4) -0.3416(3) 0.0308(14) Uani 1 1 d .
C8 C 0.6158(7) 0.5337(7) -0.7341(5) 0.130(4) Uani 1 1 d U
H8A H 0.5624 0.5350 -0.7314 0.195 Uiso 1 1 calc R
H8B H 0.6229 0.4877 -0.7693 0.195 Uiso 1 1 calc R
H8C H 0.6300 0.5913 -0.7512 0.195 Uiso 1 1 calc R
C7 C 0.7920(6) 0.4955(6) -0.6982(5) 0.093(4) Uani 1 1 d .
H7A H 0.7620 0.5146 -0.7472 0.140 Uiso 1 1 calc R
H7B H 0.8108 0.4352 -0.7020 0.140 Uiso 1 1 calc R
H7C H 0.8353 0.5356 -0.6814 0.140 Uiso 1 1 calc R
C6 C 0.8497(6) 0.4591(9) -0.5270(6) 0.125(4) Uani 1 1 d U
H6A H 0.8804 0.4517 -0.5639 0.187 Uiso 1 1 calc R
H6B H 0.8516 0.4047 -0.4977 0.187 Uiso 1 1 calc R
H6C H 0.8698 0.5084 -0.4936 0.187 Uiso 1 1 calc R
C5 C 0.7040(6) 0.4820(5) -0.5363(4) 0.074(3) Uani 1 1 d .
C40 C 0.1214(6) 0.7500 -0.1794(5) 0.045(2) Uani 1 2 d S
H40A H 0.0788 0.7656 -0.2212 0.068 Uiso 0.50 1 calc PR
H40B H 0.1402 0.6910 -0.1879 0.068 Uiso 0.50 1 calc PR
H40C H 0.1624 0.7933 -0.1759 0.068 Uiso 0.50 1 calc PR
C15 C 0.9699(5) 0.5804(5) -0.3512(4) 0.059(2) Uani 1 1 d .
H15A H 0.9280 0.5403 -0.3487 0.088 Uiso 1 1 calc R
H15B H 1.0146 0.5656 -0.3114 0.088 Uiso 1 1 calc R
H15C H 0.9824 0.5741 -0.4000 0.088 Uiso 1 1 calc R
C14 C 0.8390(4) 0.6451(5) -0.2728(4) 0.056(2) Uani 1 1 d .
H14A H 0.7965 0.6795 -0.2632 0.083 Uiso 1 1 calc R
H14B H 0.8683 0.6195 -0.2258 0.083 Uiso 1 1 calc R
H14C H 0.8194 0.5976 -0.3083 0.083 Uiso 1 1 calc R
C13 C 0.9819(4) 0.7500 -0.3625(4) 0.0260(18) Uani 1 2 d S
C22 C 0.2551(4) 0.4977(4) -0.0234(3) 0.0403(17) Uani 1 1 d .
C21 C 0.2319(4) 0.4755(6) 0.0426(4) 0.054(2) Uani 1 1 d .
C20 C 0.6127(4) 0.6564(6) -0.3649(4) 0.070(3) Uani 1 1 d .
H20A H 0.6059 0.6014 -0.3939 0.105 Uiso 1 1 calc R
H20B H 0.5694 0.6649 -0.3422 0.105 Uiso 1 1 calc R
H20C H 0.6597 0.6530 -0.3255 0.105 Uiso 1 1 calc R
C19 C 0.5218(5) 0.7500 -0.4835(5) 0.055(3) Uani 1 2 d S
H19A H 0.5172 0.7932 -0.5241 0.082 Uiso 0.50 1 calc PR
H19B H 0.4868 0.7659 -0.4524 0.082 Uiso 0.50 1 calc PR
H19C H 0.5090 0.6910 -0.5048 0.082 Uiso 0.50 1 calc PR
C18 C 0.8749(6) 0.7500 -0.7394(5) 0.060(3) Uani 1 2 d S
H18A H 0.9180 0.7650 -0.7609 0.090 Uiso 0.50 1 calc PR
H18B H 0.8344 0.7938 -0.7553 0.090 Uiso 0.50 1 calc PR
H18C H 0.8557 0.6912 -0.7567 0.090 Uiso 0.50 1 calc PR
C17 C 0.9735(4) 0.6572(5) -0.6213(4) 0.053(2) Uani 1 1 d .
H17A H 0.9457 0.6020 -0.6363 0.080 Uiso 1 1 calc R
H17B H 0.9997 0.6539 -0.5682 0.080 Uiso 1 1 calc R
H17C H 1.0109 0.6659 -0.6514 0.080 Uiso 1 1 calc R
C16 C 1.0470(5) 0.7500 -0.4006(5) 0.048(3) Uani 1 2 d S
H16A H 1.0941 0.7334 -0.3645 0.073 Uiso 0.50 1 calc PR
H16B H 1.0528 0.8092 -0.4202 0.073 Uiso 0.50 1 calc PR
H16C H 1.0366 0.7074 -0.4419 0.073 Uiso 0.50 1 calc PR
C23 C 0.3325(4) 0.5189(5) -0.0046(4) 0.0482(19) Uani 1 1 d .
C31 C 0.0121(5) 0.7500 0.1453(4) 0.0297(19) Uani 1 2 d S
C30 C 0.2965(8) 0.4646(9) 0.1840(5) 0.150(7) Uani 1 1 d .
H30A H 0.2493 0.4338 0.1858 0.225 Uiso 1 1 calc R
H30B H 0.2992 0.5207 0.2112 0.225 Uiso 1 1 calc R
H30C H 0.3402 0.4276 0.2074 0.225 Uiso 1 1 calc R
C29 C 0.4397(4) 0.5209(7) 0.1181(6) 0.090(3) Uani 1 1 d .
H29A H 0.4657 0.4636 0.1239 0.136 Uiso 1 1 calc R
H29B H 0.4397 0.5448 0.1676 0.136 Uiso 1 1 calc R
H29C H 0.4662 0.5619 0.0918 0.136 Uiso 1 1 calc R
C28 C 0.3792(6) 0.5446(8) -0.0585(6) 0.111(4) Uani 1 1 d U
H28A H 0.4077 0.4931 -0.0692 0.166 Uiso 1 1 calc R
H28B H 0.4149 0.5916 -0.0364 0.166 Uiso 1 1 calc R
H28C H 0.3456 0.5661 -0.1050 0.166 Uiso 1 1 calc R
C27 C 0.2022(5) 0.4959(6) -0.1007(4) 0.074(3) Uani 1 1 d .
H27A H 0.2275 0.5234 -0.1365 0.112 Uiso 1 1 calc R
H27B H 0.1556 0.5286 -0.1001 0.112 Uiso 1 1 calc R
H27C H 0.1894 0.4345 -0.1155 0.112 Uiso 1 1 calc R
C26 C 0.1545(6) 0.4497(9) 0.0500(5) 0.114(5) Uani 1 1 d .
H26A H 0.1161 0.4748 0.0084 0.171 Uiso 1 1 calc R
H26B H 0.1464 0.4724 0.0974 0.171 Uiso 1 1 calc R
H26C H 0.1501 0.3851 0.0493 0.171 Uiso 1 1 calc R
C25 C 0.2977(5) 0.4827(6) 0.1028(4) 0.061(2) Uani 1 1 d .
C24 C 0.3592(4) 0.5090(5) 0.0740(4) 0.0481(18) Uani 1 1 d .
C38 C 0.4735(5) 0.7500 0.2437(5) 0.044(2) Uani 1 2 d S
H38A H 0.4797 0.7937 0.2062 0.067 Uiso 0.50 1 calc PR
H38B H 0.4867 0.6912 0.2283 0.067 Uiso 0.50 1 calc PR
H38C H 0.5071 0.7651 0.2922 0.067 Uiso 0.50 1 calc PR
C37 C 0.3785(5) 0.6532(7) 0.3147(4) 0.093(3) Uani 1 1 d U
H37A H 0.3822 0.5987 0.2869 0.140 Uiso 1 1 calc R
H37B H 0.3322 0.6517 0.3335 0.140 Uiso 1 1 calc R
H37C H 0.4231 0.6581 0.3569 0.140 Uiso 1 1 calc R
C36 C 0.1565(4) 0.6446(5) 0.3011(4) 0.0510(19) Uani 1 1 d .
H36A H 0.1775 0.5981 0.2749 0.077 Uiso 1 1 calc R
H36B H 0.1274 0.6176 0.3340 0.077 Uiso 1 1 calc R
H36C H 0.1981 0.6800 0.3312 0.077 Uiso 1 1 calc R
C35 C 0.0269(5) 0.5796(5) 0.1620(4) 0.055(2) Uani 1 1 d .
H35A H 0.0068 0.5755 0.1077 0.083 Uiso 1 1 calc R
H35B H -0.0120 0.5597 0.1875 0.083 Uiso 1 1 calc R
H35C H 0.0722 0.5422 0.1770 0.083 Uiso 1 1 calc R
C34 C -0.0520(5) 0.7500 0.0771(5) 0.045(2) Uani 1 2 d S
H34A H -0.0381 0.7858 0.0380 0.068 Uiso 0.50 1 calc PR
H34B H -0.0975 0.7750 0.0894 0.068 Uiso 0.50 1 calc PR
H34C H -0.0625 0.6892 0.0591 0.068 Uiso 0.50 1 calc PR
C33 C 0.1058(3) 0.7022(4) 0.2459(3) 0.0337(14) Uani 1 1 d .
C32 C 0.0479(3) 0.6746(4) 0.1832(3) 0.0296(14) Uani 1 1 d .
C39 C 0.0236(4) 0.6582(5) -0.1098(4) 0.0480(18) Uani 1 1 d .
H39A H -0.0137 0.6672 -0.1575 0.072 Uiso 1 1 calc R
H39B H -0.0028 0.6547 -0.0692 0.072 Uiso 1 1 calc R
H39C H 0.0514 0.6030 -0.1120 0.072 Uiso 1 1 calc R
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'
Pd Pd -0.9988 1.0072 '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
P4 Pd4 Ga4 120.87(6) . .
P4 Pd4 Ga3 121.99(3) . 4_575
Ga4 Pd4 Ga3 93.46(3) . 4_575
P4 Pd4 Ga3 121.99(3) . .
Ga4 Pd4 Ga3 93.46(3) . .
Ga3 Pd4 Ga3 98.00(4) 4_575 .
P4 Pd4 Pd3 179.52(6) . .
Ga4 Pd4 Pd3 58.65(3) . .
Ga3 Pd4 Pd3 58.23(2) 4_575 .
Ga3 Pd4 Pd3 58.23(2) . .
C5 C4 C3 107.2(7) . .
C5 C4 C9 122.7(9) . .
C3 C4 C9 130.1(9) . .
C5 C4 Ga1 73.2(5) . .
C3 C4 Ga1 72.4(4) . .
C9 C4 Ga1 121.5(6) . .
C39 P4 C39 100.0(5) . 4_575
C39 P4 C40 100.6(3) . .
C39 P4 C40 100.6(3) 4_575 .
C39 P4 Pd4 117.3(2) . .
C39 P4 Pd4 117.3(2) 4_575 .
C40 P4 Pd4 117.9(3) . .
C33 Ga4 C33 35.4(3) . 4_575
C33 Ga4 C32 34.6(2) . .
C33 Ga4 C32 57.7(2) 4_575 .
C33 Ga4 C32 57.7(2) . 4_575
C33 Ga4 C32 34.6(2) 4_575 4_575
C32 Ga4 C32 56.7(3) . 4_575
C33 Ga4 C31 57.4(2) . .
C33 Ga4 C31 57.4(2) 4_575 .
C32 Ga4 C31 33.98(17) . .
C32 Ga4 C31 33.98(17) 4_575 .
C33 Ga4 Pd4 162.16(15) . .
C33 Ga4 Pd4 162.16(15) 4_575 .
C32 Ga4 Pd4 133.58(14) . .
C32 Ga4 Pd4 133.58(14) 4_575 .
C31 Ga4 Pd4 122.04(19) . .
C33 Ga4 Pd3 116.97(15) . .
C33 Ga4 Pd3 116.97(15) 4_575 .
C32 Ga4 Pd3 142.52(15) . .
C32 Ga4 Pd3 142.52(15) 4_575 .
C31 Ga4 Pd3 173.94(19) . .
Pd4 Ga4 Pd3 64.02(3) . .
P3 Pd3 Ga3 121.28(4) . 4_575
P3 Pd3 Ga3 121.28(4) . .
Ga3 Pd3 Ga3 97.71(4) 4_575 .
P3 Pd3 Ga4 124.16(7) . .
Ga3 Pd3 Ga4 92.46(3) 4_575 .
Ga3 Pd3 Ga4 92.46(3) . .
P3 Pd3 Pd4 178.51(7) . .
Ga3 Pd3 Pd4 58.03(2) 4_575 .
Ga3 Pd3 Pd4 58.03(2) . .
Ga4 Pd3 Pd4 57.33(3) . .
C4 C3 C2 108.6(6) . .
C4 C3 C8 126.6(9) . .
C2 C3 C8 124.7(9) . .
C4 C3 Ga1 72.8(4) . .
C2 C3 Ga1 74.0(4) . .
C8 C3 Ga1 122.2(6) . .
C38 P3 C37 99.3(4) . 4_575
C38 P3 C37 99.3(4) . .
C37 P3 C37 103.9(7) 4_575 .
C38 P3 Pd3 117.0(3) . .
C37 P3 Pd3 117.1(3) 4_575 .
C37 P3 Pd3 117.1(3) . .
C23 Ga3 C24 35.2(2) . .
C23 Ga3 C25 57.8(3) . .
C24 Ga3 C25 34.5(3) . .
C23 Ga3 C22 34.5(2) . .
C24 Ga3 C22 57.7(2) . .
C25 Ga3 C22 57.5(2) . .
C23 Ga3 C21 57.9(2) . .
C24 Ga3 C21 58.0(3) . .
C25 Ga3 C21 34.9(2) . .
C22 Ga3 C21 34.7(2) . .
C23 Ga3 Pd4 139.2(2) . .
C24 Ga3 Pd4 174.1(2) . .
C25 Ga3 Pd4 149.0(2) . .
C22 Ga3 Pd4 118.67(16) . .
C21 Ga3 Pd4 122.24(19) . .
C23 Ga3 Pd3 147.8(2) . .
C24 Ga3 Pd3 120.46(18) . .
C25 Ga3 Pd3 116.77(18) . .
C22 Ga3 Pd3 173.13(16) . .
C21 Ga3 Pd3 138.47(16) . .
Pd4 Ga3 Pd3 63.75(2) . .
P2 Pd2 Ga1 121.07(3) . 4_575
P2 Pd2 Ga1 121.07(3) . .
Ga1 Pd2 Ga1 97.57(4) 4_575 .
P2 Pd2 Ga2 124.47(6) . .
Ga1 Pd2 Ga2 92.61(3) 4_575 .
Ga1 Pd2 Ga2 92.61(3) . .
P2 Pd2 Pd1 178.19(6) . .
Ga1 Pd2 Pd1 58.08(2) 4_575 .
Ga1 Pd2 Pd1 58.08(2) . .
Ga2 Pd2 Pd1 57.34(3) . .
C1 C2 C3 107.0(6) . .
C1 C2 C7 125.9(7) . .
C3 C2 C7 127.1(7) . .
C1 C2 Ga1 72.3(4) . .
C3 C2 Ga1 71.4(4) . .
C7 C2 Ga1 123.3(5) . .
C19 P2 C20 99.7(3) . 4_575
C19 P2 C20 99.7(3) . .
C20 P2 C20 100.9(6) 4_575 .
C19 P2 Pd2 115.7(3) . .
C20 P2 Pd2 118.7(2) 4_575 .
C20 P2 Pd2 118.7(2) . .
C11 Ga2 C11 33.7(3) 4_575 .
C11 Ga2 C12 34.86(19) 4_575 4_575
C11 Ga2 C12 57.16(19) . 4_575
C11 Ga2 C12 57.16(19) 4_575 .
C11 Ga2 C12 34.86(19) . .
C12 Ga2 C12 57.3(3) 4_575 .
C11 Ga2 C13 56.9(2) 4_575 .
C11 Ga2 C13 56.9(2) . .
C12 Ga2 C13 34.18(17) 4_575 .
C12 Ga2 C13 34.18(17) . .
C11 Ga2 Pd1 162.85(15) 4_575 .
C11 Ga2 Pd1 162.85(15) . .
C12 Ga2 Pd1 133.04(14) 4_575 .
C12 Ga2 Pd1 133.04(14) . .
C13 Ga2 Pd1 121.59(17) . .
C11 Ga2 Pd2 117.81(14) 4_575 .
C11 Ga2 Pd2 117.81(14) . .
C12 Ga2 Pd2 142.64(15) 4_575 .
C12 Ga2 Pd2 142.64(15) . .
C13 Ga2 Pd2 174.41(17) . .
Pd1 Ga2 Pd2 64.00(3) . .
P1 Pd1 Ga2 120.89(7) . .
P1 Pd1 Ga1 122.01(3) . .
Ga2 Pd1 Ga1 93.56(3) . .
P1 Pd1 Ga1 122.01(3) . 4_575
Ga2 Pd1 Ga1 93.56(3) . 4_575
Ga1 Pd1 Ga1 97.75(4) . 4_575
P1 Pd1 Pd2 179.54(7) . .
Ga2 Pd1 Pd2 58.65(3) . .
Ga1 Pd1 Pd2 58.20(2) . .
Ga1 Pd1 Pd2 58.20(2) 4_575 .
C2 C1 C5 108.3(6) . .
C2 C1 C6 124.3(8) . .
C5 C1 C6 127.4(7) . .
C2 C1 Ga1 73.6(4) . .
C5 C1 Ga1 72.5(4) . .
C6 C1 Ga1 119.2(7) . .
C17 P1 C17 100.0(5) 4_575 .
C17 P1 C18 100.7(3) 4_575 .
C17 P1 C18 100.7(3) . .
C17 P1 Pd1 117.2(2) 4_575 .
C17 P1 Pd1 117.2(2) . .
C18 P1 Pd1 118.0(4) . .
C3 Ga1 C4 34.8(3) . .
C3 Ga1 C5 56.9(3) . .
C4 Ga1 C5 34.1(3) . .
C3 Ga1 C1 57.0(2) . .
C4 Ga1 C1 57.4(3) . .
C5 Ga1 C1 34.5(3) . .
C3 Ga1 C2 34.6(2) . .
C4 Ga1 C2 57.8(2) . .
C5 Ga1 C2 57.1(2) . .
C1 Ga1 C2 34.1(2) . .
C3 Ga1 Pd1 140.8(2) . .
C4 Ga1 Pd1 175.3(2) . .
C5 Ga1 Pd1 146.0(3) . .
C1 Ga1 Pd1 120.0(2) . .
C2 Ga1 Pd1 117.74(15) . .
C3 Ga1 Pd2 148.6(2) . .
C4 Ga1 Pd2 120.9(2) . .
C5 Ga1 Pd2 116.98(19) . .
C1 Ga1 Pd2 138.10(16) . .
C2 Ga1 Pd2 172.15(15) . .
Pd1 Ga1 Pd2 63.72(2) . .
C11 C11 C12 108.8(3) 4_575 .
C11 C11 C14 126.7(4) 4_575 .
C12 C11 C14 124.5(6) . .
C11 C11 Ga2 73.14(15) 4_575 .
C12 C11 Ga2 73.3(3) . .
C14 C11 Ga2 119.6(4) . .
C13 C12 C11 107.0(5) . .
C13 C12 C15 124.9(6) . .
C11 C12 C15 127.9(6) . .
C13 C12 Ga2 74.0(4) . .
C11 C12 Ga2 71.8(3) . .
C15 C12 Ga2 123.3(4) . .
C4 C5 C1 108.9(6) . .
C4 C5 C10 125.9(9) . .
C1 C5 C10 125.2(9) . .
C4 C5 Ga1 72.7(4) . .
C1 C5 Ga1 72.9(5) . .
C10 C5 Ga1 118.8(7) . .
C12 C13 C12 108.5(7) . 4_575
C12 C13 C16 125.8(4) . .
C12 C13 C16 125.8(4) 4_575 .
C12 C13 Ga2 71.9(4) . .
C12 C13 Ga2 71.9(4) 4_575 .
C16 C13 Ga2 122.4(5) . .
C23 C22 C21 109.0(6) . .
C23 C22 C27 127.5(7) . .
C21 C22 C27 123.5(7) . .
C23 C22 Ga3 71.9(4) . .
C21 C22 Ga3 73.2(4) . .
C27 C22 Ga3 122.1(5) . .
C22 C21 C25 106.6(6) . .
C22 C21 C26 128.1(7) . .
C25 C21 C26 125.3(7) . .
C22 C21 Ga3 72.2(4) . .
C25 C21 Ga3 71.8(4) . .
C26 C21 Ga3 120.9(7) . .
C22 C23 C24 107.9(6) . .
C22 C23 C28 125.8(8) . .
C24 C23 C28 126.2(8) . .
C22 C23 Ga3 73.6(4) . .
C24 C23 Ga3 72.5(4) . .
C28 C23 Ga3 121.1(6) . .
C32 C31 C32 107.8(7) 4_575 .
C32 C31 C34 126.1(4) 4_575 .
C32 C31 C34 126.1(4) . .
C32 C31 Ga4 71.9(4) 4_575 .
C32 C31 Ga4 71.9(4) . .
C34 C31 Ga4 121.8(5) . .
C24 C25 C21 108.6(6) . .
C24 C25 C30 128.4(8) . .
C21 C25 C30 123.0(8) . .
C24 C25 Ga3 72.2(4) . .
C21 C25 Ga3 73.2(4) . .
C30 C25 Ga3 120.0(7) . .
C25 C24 C23 107.8(6) . .
C25 C24 C29 125.8(8) . .
C23 C24 C29 126.3(8) . .
C25 C24 Ga3 73.2(4) . .
C23 C24 Ga3 72.3(4) . .
C29 C24 Ga3 122.2(5) . .
C32 C33 C33 107.0(4) . 4_575
C32 C33 C36 126.9(6) . .
C33 C33 C36 126.0(4) 4_575 .
C32 C33 Ga4 73.4(3) . .
C33 C33 Ga4 72.32(15) 4_575 .
C36 C33 Ga4 120.0(4) . .
C31 C32 C33 109.1(6) . .
C31 C32 C35 125.6(6) . .
C33 C32 C35 125.4(6) . .
C31 C32 Ga4 74.2(4) . .
C33 C32 Ga4 72.0(3) . .
C35 C32 Ga4 121.2(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pd4 P4 2.270(2) .
Pd4 Ga4 2.4565(9) .
Pd4 Ga3 2.4812(8) 4_575
Pd4 Ga3 2.4812(8) .
Pd4 Pd3 2.6233(8) .
C4 C5 1.380(12) .
C4 C3 1.407(11) .
C4 C9 1.530(12) .
C4 Ga1 2.353(7) .
P4 C39 1.812(7) .
P4 C39 1.812(7) 4_575
P4 C40 1.813(9) .
Ga4 C33 2.381(5) .
Ga4 C33 2.381(5) 4_575
Ga4 C32 2.399(5) .
Ga4 C32 2.399(5) 4_575
Ga4 C31 2.429(8) .
Ga4 Pd3 2.4922(11) .
Pd3 P3 2.270(2) .
Pd3 Ga3 2.4866(8) 4_575
Pd3 Ga3 2.4866(8) .
C3 C2 1.409(10) .
C3 C8 1.492(10) .
C3 Ga1 2.348(6) .
P3 C38 1.821(10) .
P3 C37 1.859(8) 4_575
P3 C37 1.859(8) .
Ga3 C23 2.347(6) .
Ga3 C24 2.350(7) .
Ga3 C25 2.363(8) .
Ga3 C22 2.369(6) .
Ga3 C21 2.382(8) .
Pd2 P2 2.275(2) .
Pd2 Ga1 2.4877(7) 4_575
Pd2 Ga1 2.4877(7) .
Pd2 Ga2 2.4938(11) .
Pd2 Pd1 2.6245(8) .
C2 C1 1.391(8) .
C2 C7 1.484(9) .
C2 Ga1 2.382(6) .
P2 C19 1.811(9) .
P2 C20 1.836(7) 4_575
P2 C20 1.836(7) .
Ga2 C11 2.368(5) 4_575
Ga2 C11 2.368(5) .
Ga2 C12 2.387(6) 4_575
Ga2 C12 2.387(6) .
Ga2 C13 2.414(8) .
Ga2 Pd1 2.4584(9) .
Pd1 P1 2.278(2) .
Pd1 Ga1 2.4843(8) .
Pd1 Ga1 2.4843(8) 4_575
C1 C5 1.402(11) .
C1 C6 1.524(12) .
C1 Ga1 2.364(8) .
P1 C17 1.833(7) 4_575
P1 C17 1.833(7) .
P1 C18 1.848(9) .
Ga1 C5 2.359(8) .
C10 C5 1.557(12) .
C11 C11 1.373(12) 4_575
C11 C12 1.424(8) .
C11 C14 1.506(8) .
C12 C13 1.411(7) .
C12 C15 1.505(9) .
C13 C12 1.411(7) 4_575
C13 C16 1.508(11) .
C22 C23 1.397(10) .
C22 C21 1.416(9) .
C22 C27 1.513(9) .
C21 C25 1.425(10) .
C21 C26 1.492(11) .
C23 C24 1.419(10) .
C23 C28 1.499(10) .
C31 C32 1.411(8) 4_575
C31 C32 1.411(8) .
C31 C34 1.493(12) .
C30 C25 1.525(11) .
C29 C24 1.500(10) .
C25 C24 1.400(10) .
C36 C33 1.480(8) .
C35 C32 1.513(9) .
C33 C32 1.423(8) .
C33 C33 1.446(13) 4_575
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 0.500 0.250 1.143 475.4 17.8
2 0.499 0.750 0.857 475.5 17.8
