#------------------------------------------------------------------------------
#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/50/80/1508001.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_1508001
loop_
_publ_author_name
'Campbell, Michael G.'
'Powers, David C.'
'Raynaud, Jean'
'Graham, Michael J.'
'Xie, Ping'
'Lee, Eunsung'
'Ritter, Tobias'
_publ_section_title
;
 Synthesis and structure of solution-stable one-dimensional palladium
 wires.
;
_journal_issue                   12
_journal_name_full               'Nature chemistry'
_journal_page_first              949
_journal_page_last               953
_journal_paper_doi               10.1038/nchem.1197
_journal_volume                  3
_journal_year                    2011
_chemical_formula_sum            'C32 H26 Cl4 F N2 O4 Pd2'
_chemical_formula_weight         876.15
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 97.4410(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            6
_cell_length_a                   11.3819(5)
_cell_length_b                   16.6013(7)
_cell_length_c                   17.4899(7)
_cell_measurement_reflns_used    11706
_cell_measurement_temperature    190(1)
_cell_measurement_theta_max      26.5
_cell_measurement_theta_min      4.18
_cell_volume                     3277.0(2)
_computing_cell_refinement       'SAINT 7.46A (Bruker-AXS, 2009)'
_computing_data_collection       'APEX2 v2009.3.0 (Bruker-AXS, 2009)'
_computing_data_reduction        'SAINT 7.46A (Bruker-AXS, 2009)'
_computing_molecular_graphics    'Bruker SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'Bruker SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      190(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type
;
Bruker D8 goniometer with CCD area detector
;
_diffrn_measurement_method       'phi and omega scans'
_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  0.0346
_diffrn_reflns_av_sigmaI/netI    0.0230
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            55349
_diffrn_reflns_theta_full        27.12
_diffrn_reflns_theta_max         27.12
_diffrn_reflns_theta_min         1.70
_exptl_absorpt_coefficient_mu    1.681
_exptl_absorpt_correction_T_max  0.9206
_exptl_absorpt_correction_T_min  0.5528
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.776
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1722
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_platon_squeeze_details
;
;
_refine_diff_density_max         0.389
_refine_diff_density_min         -0.683
_refine_diff_density_rms         0.074
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     345
_refine_ls_number_reflns         7244
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.074
_refine_ls_R_factor_all          0.0465
_refine_ls_R_factor_gt           0.0291
_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)+(0.0299P)²+1.5836P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0712
_refine_ls_wR_factor_ref         0.0757
_reflns_number_gt                5090
_reflns_number_total             7244
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            nchem.1197-s7.cif
_cod_data_source_block           mgc190
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               1508001
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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
Pd1 Pd 0.368606(16) 0.008259(12) -0.005000(11) 0.02126(6) Uani 1 1 d .
Pd2 Pd 0.130984(16) 0.006399(12) 0.002586(11) 0.02157(6) Uani 1 1 d .
N1 N 0.36455(18) -0.08260(13) -0.08135(13) 0.0244(5) Uani 1 1 d .
N2 N 0.12615(18) -0.10681(13) 0.04383(13) 0.0246(5) Uani 1 1 d .
O3 O 0.13310(16) 0.11739(11) -0.04632(12) 0.0316(5) Uani 1 1 d .
O4 O 0.37250(16) 0.09534(12) 0.07677(12) 0.0344(5) Uani 1 1 d .
C6 C 0.4157(2) -0.15408(16) 0.03361(16) 0.0256(6) Uani 1 1 d .
C7 C 0.0971(2) -0.16283(16) -0.01261(16) 0.0261(6) Uani 1 1 d .
O9 O 0.19639(16) 0.06242(12) 0.11130(11) 0.0316(5) Uani 1 1 d .
C10 C 0.2883(2) 0.10338(18) 0.11715(17) 0.0340(7) Uani 1 1 d .
C11 C 0.0719(2) -0.13209(17) -0.08792(16) 0.0275(6) Uani 1 1 d .
C12 C 0.0794(2) -0.04731(16) -0.09701(15) 0.0247(6) Uani 1 1 d .
C14 C 0.0904(2) -0.24610(17) 0.00319(18) 0.0342(7) Uani 1 1 d .
C15 C 0.0571(2) -0.01510(19) -0.16991(16) 0.0323(6) Uani 1 1 d .
H15 H 0.0616 0.0414 -0.1777 0.039 Uiso 1 1 calc R
C16 C 0.3387(2) -0.07878(18) -0.15798(15) 0.0291(6) Uani 1 1 d .
H16 H 0.3236 -0.0279 -0.1820 0.035 Uiso 1 1 calc R
C17 C 0.1463(3) -0.21245(19) 0.13648(19) 0.0394(8) Uani 1 1 d .
H17 H 0.1651 -0.2284 0.1888 0.047 Uiso 1 1 calc R
C18 C 0.4430(3) -0.22602(18) 0.07427(18) 0.0345(7) Uani 1 1 d .
C19 C 0.4156(2) -0.07852(17) 0.07033(16) 0.0261(6) Uani 1 1 d .
C20 C 0.0184(3) -0.1490(2) -0.22378(19) 0.0434(8) Uani 1 1 d .
H20 H -0.0031 -0.1822 -0.2676 0.052 Uiso 1 1 calc R
C21 C 0.3562(3) -0.22195(19) -0.16970(18) 0.0385(7) Uani 1 1 d .
H21 H 0.3532 -0.2691 -0.2006 0.046 Uiso 1 1 calc R
C22 C 0.3840(2) -0.22784(17) -0.08946(18) 0.0339(7) Uani 1 1 d .
C23 C 0.4722(3) -0.1457(2) 0.19067(19) 0.0429(8) Uani 1 1 d .
H23 H 0.4929 -0.1425 0.2450 0.052 Uiso 1 1 calc R
C24 C 0.0276(2) -0.0674(2) -0.23284(17) 0.0392(8) Uani 1 1 d .
H24 H 0.0136 -0.0453 -0.2833 0.047 Uiso 1 1 calc R
C26 C 0.3871(2) -0.15674(16) -0.04735(16) 0.0254(6) Uani 1 1 d .
O27 O 0.31031(17) 0.09912(11) -0.08843(12) 0.0332(5) Uani 1 1 d .
C28 C 0.3333(3) -0.14837(19) -0.20345(17) 0.0377(7) Uani 1 1 d .
H28 H 0.3138 -0.1445 -0.2578 0.045 Uiso 1 1 calc R
C29 C 0.2186(2) 0.13933(17) -0.08288(17) 0.0321(7) Uani 1 1 d .
C30 C 0.0405(2) -0.18363(19) -0.15040(18) 0.0359(7) Uani 1 1 d .
C31 C 0.4433(2) -0.07463(19) 0.14817(16) 0.0326(7) Uani 1 1 d .
H31 H 0.4431 -0.0242 0.1739 0.039 Uiso 1 1 calc R
C35 C 0.4711(3) -0.2191(2) 0.15539(19) 0.0457(8) Uani 1 1 d .
H35 H 0.4893 -0.2662 0.1855 0.055 Uiso 1 1 calc R
C37 C 0.2057(3) 0.2198(2) -0.1211(2) 0.0597(11) Uani 1 1 d .
H37A H 0.1283 0.2428 -0.1146 0.089 Uiso 1 1 calc R
H37B H 0.2119 0.2138 -0.1762 0.089 Uiso 1 1 calc R
H37C H 0.2686 0.2558 -0.0976 0.089 Uiso 1 1 calc R
C38 C 0.4398(3) -0.29939(19) 0.0320(2) 0.0474(9) Uani 1 1 d .
H38 H 0.4569 -0.3486 0.0590 0.057 Uiso 1 1 calc R
C42 C 0.1500(2) -0.13102(18) 0.11678(17) 0.0316(6) Uani 1 1 d .
H42 H 0.1699 -0.0922 0.1562 0.038 Uiso 1 1 calc R
C44 C 0.1155(3) -0.26976(19) 0.0803(2) 0.0416(8) Uani 1 1 d .
H44 H 0.1113 -0.3250 0.0940 0.050 Uiso 1 1 calc R
C47 C 0.3044(3) 0.1696(3) 0.1762(2) 0.0797(15) Uani 1 1 d .
H47A H 0.3178 0.1460 0.2280 0.120 Uiso 1 1 calc R
H47B H 0.2331 0.2033 0.1716 0.120 Uiso 1 1 calc R
H47C H 0.3728 0.2027 0.1677 0.120 Uiso 1 1 calc R
C48 C 0.4126(3) -0.30084(18) -0.0470(2) 0.0484(9) Uani 1 1 d .
H48 H 0.4126 -0.3507 -0.0738 0.058 Uiso 1 1 calc R
C50 C 0.0343(3) -0.2681(2) -0.1333(2) 0.0445(8) Uani 1 1 d .
H50 H 0.0130 -0.3047 -0.1746 0.053 Uiso 1 1 calc R
C56 C 0.0575(3) -0.29763(19) -0.0614(2) 0.0462(9) Uani 1 1 d .
H56 H 0.0518 -0.3540 -0.0533 0.055 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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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_3
C19 Pd1 N1 82.93(11) .
C19 Pd1 O4 94.02(10) .
N1 Pd1 O4 176.81(8) .
C19 Pd1 O27 177.32(9) .
N1 Pd1 O27 95.59(9) .
O4 Pd1 O27 87.43(8) .
C19 Pd1 Pd2 98.28(7) .
N1 Pd1 Pd2 94.95(6) .
O4 Pd1 Pd2 84.55(5) .
O27 Pd1 Pd2 79.60(5) .
C19 Pd1 Pd1 73.24(7) 3_655
N1 Pd1 Pd1 84.65(6) 3_655
O4 Pd1 Pd1 95.38(5) 3_655
O27 Pd1 Pd1 108.90(5) 3_655
Pd2 Pd1 Pd1 171.499(13) 3_655
C12 Pd2 N2 82.88(10) .
C12 Pd2 O3 93.23(10) .
N2 Pd2 O3 176.10(8) .
C12 Pd2 O9 177.02(8) .
N2 Pd2 O9 96.24(8) .
O3 Pd2 O9 87.63(8) .
C12 Pd2 Pd1 98.37(7) .
N2 Pd2 Pd1 95.81(6) .
O3 Pd2 Pd1 84.45(5) .
O9 Pd2 Pd1 78.87(5) .
C12 Pd2 Pd2 76.07(7) 3
N2 Pd2 Pd2 82.58(6) 3
O3 Pd2 Pd2 96.79(5) 3
O9 Pd2 Pd2 106.67(5) 3
Pd1 Pd2 Pd2 174.340(12) 3
C16 N1 C26 118.7(2) .
C16 N1 Pd1 127.84(19) .
C26 N1 Pd1 113.38(17) .
C42 N2 C7 119.2(2) .
C42 N2 Pd2 127.8(2) .
C7 N2 Pd2 113.05(17) .
C29 O3 Pd2 121.17(17) .
C10 O4 Pd1 121.20(18) .
C18 C6 C19 122.6(3) .
C18 C6 C26 119.2(3) .
C19 C6 C26 118.1(2) .
N2 C7 C11 115.5(2) .
N2 C7 C14 122.6(3) .
C11 C7 C14 121.9(3) .
C10 O9 Pd2 119.95(18) .
O9 C10 O4 125.9(3) .
O9 C10 C47 118.9(3) .
O4 C10 C47 115.2(3) .
C30 C11 C7 120.7(3) .
C30 C11 C12 122.2(3) .
C7 C11 C12 117.2(2) .
C15 C12 C11 118.9(3) .
C15 C12 Pd2 129.7(2) .
C11 C12 Pd2 111.3(2) .
C44 C14 C7 117.0(3) .
C44 C14 C56 126.5(3) .
C7 C14 C56 116.5(3) .
C12 C15 C24 118.8(3) .
N1 C16 C28 121.2(3) .
C44 C17 C42 120.3(3) .
C6 C18 C35 116.4(3) .
C6 C18 C38 118.4(3) .
C35 C18 C38 125.2(3) .
C31 C19 C6 119.0(3) .
C31 C19 Pd1 129.8(2) .
C6 C19 Pd1 111.15(19) .
C24 C20 C30 120.4(3) .
C28 C21 C22 120.0(3) .
C26 C22 C21 117.3(3) .
C26 C22 C48 117.0(3) .
C21 C22 C48 125.7(3) .
C35 C23 C31 121.4(3) .
C20 C24 C15 122.2(3) .
N1 C26 C22 122.7(3) .
N1 C26 C6 114.3(2) .
C22 C26 C6 123.0(3) .
C29 O27 Pd1 120.63(18) .
C21 C28 C16 120.0(3) .
O27 C29 O3 125.4(3) .
O27 C29 C37 118.4(3) .
O3 C29 C37 116.1(2) .
C11 C30 C20 117.6(3) .
C11 C30 C50 116.7(3) .
C20 C30 C50 125.8(3) .
C19 C31 C23 119.7(3) .
C23 C35 C18 120.8(3) .
C48 C38 C18 121.6(3) .
N2 C42 C17 121.3(3) .
C17 C44 C14 119.6(3) .
C38 C48 C22 120.7(3) .
C56 C50 C30 122.8(3) .
C50 C56 C14 121.4(3) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pd1 C19 1.979(3) .
Pd1 N1 2.011(2) .
Pd1 O4 2.0299(18) .
Pd1 O27 2.1434(19) .
Pd1 Pd2 2.7251(3) .
Pd1 Pd1 2.9861(4) 3_655
Pd2 C12 1.977(3) .
Pd2 N2 2.016(2) .
Pd2 O3 2.0330(18) .
Pd2 O9 2.1605(19) .
Pd2 Pd2 2.9789(4) 3
N1 C16 1.336(3) .
N1 C26 1.377(3) .
N2 C42 1.332(3) .
N2 C7 1.365(3) .
O3 C29 1.284(3) .
O4 C10 1.269(3) .
C6 C18 1.404(4) .
C6 C19 1.409(4) .
C6 C26 1.412(4) .
C7 C11 1.407(4) .
C7 C14 1.414(4) .
O9 C10 1.241(3) .
C10 C47 1.504(4) .
C11 C30 1.398(4) .
C11 C12 1.420(4) .
C12 C15 1.375(4) .
C14 C44 1.399(4) .
C14 C56 1.427(4) .
C15 C24 1.408(4) .
C16 C28 1.400(4) .
C17 C44 1.380(4) .
C17 C42 1.397(4) .
C18 C35 1.418(4) .
C18 C38 1.423(4) .
C19 C31 1.359(4) .
C20 C24 1.369(5) .
C20 C30 1.399(4) .
C21 C28 1.367(4) .
C21 C22 1.402(4) .
C22 C26 1.389(4) .
C22 C48 1.436(4) .
C23 C35 1.365(5) .
C23 C31 1.411(4) .
O27 C29 1.253(3) .
C29 C37 1.493(4) .
C30 C50 1.438(4) .
C38 C48 1.377(5) .
C50 C56 1.344(5) .
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
C19 Pd1 Pd2 C12 -105.47(12) . .
N1 Pd1 Pd2 C12 -21.91(11) . .
O4 Pd1 Pd2 C12 161.25(10) . .
O27 Pd1 Pd2 C12 72.87(10) . .
Pd1 Pd1 Pd2 C12 -108.79(11) 3_655 .
C19 Pd1 Pd2 N2 -21.84(10) . .
N1 Pd1 Pd2 N2 61.72(9) . .
O4 Pd1 Pd2 N2 -115.12(9) . .
O27 Pd1 Pd2 N2 156.50(9) . .
Pd1 Pd1 Pd2 N2 -25.16(11) 3_655 .
C19 Pd1 Pd2 O3 162.07(10) . .
N1 Pd1 Pd2 O3 -114.38(8) . .
O4 Pd1 Pd2 O3 68.78(9) . .
O27 Pd1 Pd2 O3 -19.59(8) . .
Pd1 Pd1 Pd2 O3 158.75(10) 3_655 .
C19 Pd1 Pd2 O9 73.40(10) . .
N1 Pd1 Pd2 O9 156.96(8) . .
O4 Pd1 Pd2 O9 -19.88(8) . .
O27 Pd1 Pd2 O9 -108.26(8) . .
Pd1 Pd1 Pd2 O9 70.08(10) 3_655 .
C19 Pd1 Pd2 Pd2 -94.97(15) . 3
N1 Pd1 Pd2 Pd2 -11.42(15) . 3
O4 Pd1 Pd2 Pd2 171.75(14) . 3
O27 Pd1 Pd2 Pd2 83.37(14) . 3
Pd1 Pd1 Pd2 Pd2 -98.29(13) 3_655 3
C19 Pd1 N1 C16 -179.2(2) . .
O4 Pd1 N1 C16 163.9(12) . .
O27 Pd1 N1 C16 3.1(2) . .
Pd2 Pd1 N1 C16 83.1(2) . .
Pd1 Pd1 N1 C16 -105.5(2) 3_655 .
C19 Pd1 N1 C26 3.64(17) . .
O4 Pd1 N1 C26 -13.3(14) . .
O27 Pd1 N1 C26 -174.12(17) . .
Pd2 Pd1 N1 C26 -94.12(16) . .
Pd1 Pd1 N1 C26 77.36(16) 3_655 .
C12 Pd2 N2 C42 -179.0(2) . .
O3 Pd2 N2 C42 176.9(10) . .
O9 Pd2 N2 C42 3.9(2) . .
Pd1 Pd2 N2 C42 83.2(2) . .
Pd2 Pd2 N2 C42 -102.2(2) 3 .
C12 Pd2 N2 C7 2.61(17) . .
O3 Pd2 N2 C7 -1.5(11) . .
O9 Pd2 N2 C7 -174.53(16) . .
Pd1 Pd2 N2 C7 -95.14(16) . .
Pd2 Pd2 N2 C7 79.40(16) 3 .
C12 Pd2 O3 C29 -77.7(2) . .
N2 Pd2 O3 C29 -73.7(11) . .
O9 Pd2 O3 C29 99.5(2) . .
Pd1 Pd2 O3 C29 20.4(2) . .
Pd2 Pd2 O3 C29 -154.0(2) 3 .
C19 Pd1 O4 C10 -78.4(2) . .
N1 Pd1 O4 C10 -61.5(14) . .
O27 Pd1 O4 C10 99.3(2) . .
Pd2 Pd1 O4 C10 19.5(2) . .
Pd1 Pd1 O4 C10 -151.9(2) 3_655 .
C42 N2 C7 C11 179.3(2) . .
Pd2 N2 C7 C11 -2.2(3) . .
C42 N2 C7 C14 0.4(4) . .
Pd2 N2 C7 C14 179.0(2) . .
C12 Pd2 O9 C10 51.9(19) . .
N2 Pd2 O9 C10 124.6(2) . .
O3 Pd2 O9 C10 -55.0(2) . .
Pd1 Pd2 O9 C10 29.8(2) . .
Pd2 Pd2 O9 C10 -151.3(2) 3 .
Pd2 O9 C10 O4 -26.5(4) . .
Pd2 O9 C10 C47 153.0(3) . .
Pd1 O4 C10 O9 -1.5(4) . .
Pd1 O4 C10 C47 179.1(3) . .
N2 C7 C11 C30 -179.7(2) . .
C14 C7 C11 C30 -0.8(4) . .
N2 C7 C11 C12 0.0(3) . .
C14 C7 C11 C12 178.9(2) . .
C30 C11 C12 C15 -1.3(4) . .
C7 C11 C12 C15 179.0(2) . .
C30 C11 C12 Pd2 -178.2(2) . .
C7 C11 C12 Pd2 2.1(3) . .
N2 Pd2 C12 C15 -179.0(3) . .
O3 Pd2 C12 C15 0.7(2) . .
O9 Pd2 C12 C15 -106.0(18) . .
Pd1 Pd2 C12 C15 -84.1(2) . .
Pd2 Pd2 C12 C15 96.9(2) 3 .
N2 Pd2 C12 C11 -2.49(17) . .
O3 Pd2 C12 C11 177.23(18) . .
O9 Pd2 C12 C11 70.5(19) . .
Pd1 Pd2 C12 C11 92.37(17) . .
Pd2 Pd2 C12 C11 -86.57(17) 3 .
N2 C7 C14 C44 -0.2(4) . .
C11 C7 C14 C44 -179.0(2) . .
N2 C7 C14 C56 179.2(2) . .
C11 C7 C14 C56 0.4(4) . .
C11 C12 C15 C24 0.1(4) . .
Pd2 C12 C15 C24 176.4(2) . .
C26 N1 C16 C28 0.5(4) . .
Pd1 N1 C16 C28 -176.54(19) . .
C19 C6 C18 C35 0.0(4) . .
C26 C6 C18 C35 179.9(3) . .
C19 C6 C18 C38 179.5(3) . .
C26 C6 C18 C38 -0.5(4) . .
C18 C6 C19 C31 0.2(4) . .
C26 C6 C19 C31 -179.8(2) . .
C18 C6 C19 Pd1 -178.4(2) . .
C26 C6 C19 Pd1 1.7(3) . .
N1 Pd1 C19 C31 178.9(3) . .
O4 Pd1 C19 C31 -2.1(2) . .
O27 Pd1 C19 C31 -124.6(19) . .
Pd2 Pd1 C19 C31 -87.1(2) . .
Pd1 Pd1 C19 C31 92.3(2) 3_655 .
N1 Pd1 C19 C6 -2.79(18) . .
O4 Pd1 C19 C6 176.28(18) . .
O27 Pd1 C19 C6 54(2) . .
Pd2 Pd1 C19 C6 91.21(17) . .
Pd1 Pd1 C19 C6 -89.30(18) 3_655 .
C28 C21 C22 C26 -0.1(4) . .
C28 C21 C22 C48 -178.4(3) . .
C30 C20 C24 C15 -1.1(4) . .
C12 C15 C24 C20 1.1(4) . .
C16 N1 C26 C22 0.0(4) . .
Pd1 N1 C26 C22 177.4(2) . .
C16 N1 C26 C6 178.9(2) . .
Pd1 N1 C26 C6 -3.7(3) . .
C21 C22 C26 N1 -0.2(4) . .
C48 C22 C26 N1 178.3(3) . .
C21 C22 C26 C6 -179.0(3) . .
C48 C22 C26 C6 -0.5(4) . .
C18 C6 C26 N1 -178.6(2) . .
C19 C6 C26 N1 1.4(3) . .
C18 C6 C26 C22 0.3(4) . .
C19 C6 C26 C22 -179.7(2) . .
C19 Pd1 O27 C29 66(2) . .
N1 Pd1 O27 C29 122.0(2) . .
O4 Pd1 O27 C29 -57.0(2) . .
Pd2 Pd1 O27 C29 28.0(2) . .
Pd1 Pd1 O27 C29 -151.8(2) 3_655 .
C22 C21 C28 C16 0.5(4) . .
N1 C16 C28 C21 -0.8(4) . .
Pd1 O27 C29 O3 -22.8(4) . .
Pd1 O27 C29 C37 156.9(2) . .
Pd2 O3 C29 O27 -4.6(4) . .
Pd2 O3 C29 C37 175.7(2) . .
C7 C11 C30 C20 -179.0(2) . .
C12 C11 C30 C20 1.2(4) . .
C7 C11 C30 C50 0.6(4) . .
C12 C11 C30 C50 -179.1(2) . .
C24 C20 C30 C11 -0.1(4) . .
C24 C20 C30 C50 -179.7(3) . .
C6 C19 C31 C23 0.4(4) . .
Pd1 C19 C31 C23 178.7(2) . .
C35 C23 C31 C19 -1.2(4) . .
C31 C23 C35 C18 1.3(5) . .
C6 C18 C35 C23 -0.7(4) . .
C38 C18 C35 C23 179.8(3) . .
C6 C18 C38 C48 1.0(5) . .
C35 C18 C38 C48 -179.5(3) . .
C7 N2 C42 C17 0.3(4) . .
Pd2 N2 C42 C17 -178.0(2) . .
C44 C17 C42 N2 -1.2(4) . .
C42 C17 C44 C14 1.4(4) . .
C7 C14 C44 C17 -0.7(4) . .
C56 C14 C44 C17 179.9(3) . .
C18 C38 C48 C22 -1.2(5) . .
C26 C22 C48 C38 0.9(4) . .
C21 C22 C48 C38 179.3(3) . .
C11 C30 C50 C56 -0.1(4) . .
C20 C30 C50 C56 179.5(3) . .
C30 C50 C56 C14 -0.2(5) . .
C44 C14 C56 C50 179.5(3) . .
C7 C14 C56 C50 0.1(4) . .
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 0.000 0.000 0.500 511 215 ' '
2 -0.001 0.500 1.000 511 215 ' '
