#------------------------------------------------------------------------------
#$Date: 2023-12-22 17:07:40 +0200 (Fri, 22 Dec 2023) $
#$Revision: 288505 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/06/54/4065446.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_4065446
loop_
_publ_author_name
'Herbert, David E.'
'Ozerov, Oleg V.'
_publ_section_title
;
 Binuclear Palladium Complexes Supported by Bridged Pincer Ligands
;
_journal_issue                   24
_journal_name_full               Organometallics
_journal_page_first              6641
_journal_paper_doi               10.1021/om2008056
_journal_volume                  30
_journal_year                    2011
_chemical_formula_sum            'C48 H64 N4 O4 P2 Pd2'
_chemical_formula_weight         1035.77
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 128.243(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.247(8)
_cell_length_b                   21.245(8)
_cell_length_c                   14.767(6)
_cell_measurement_reflns_used    9944
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      27.57
_cell_measurement_theta_min      2.33
_cell_volume                     5482(4)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      110(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0337
_diffrn_reflns_av_sigmaI/netI    0.0266
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            30619
_diffrn_reflns_theta_full        27.59
_diffrn_reflns_theta_max         27.59
_diffrn_reflns_theta_min         1.51
_exptl_absorpt_coefficient_mu    0.755
_exptl_absorpt_correction_T_max  0.8621
_exptl_absorpt_correction_T_min  0.7901
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABs
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.255
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2136
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.19
_platon_squeeze_details
;
;
_refine_diff_density_max         0.394
_refine_diff_density_min         -0.243
_refine_diff_density_rms         0.057
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     278
_refine_ls_number_reflns         6282
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.072
_refine_ls_R_factor_all          0.0311
_refine_ls_R_factor_gt           0.0256
_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)+(0.0366P)²+1.3688P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0679
_refine_ls_wR_factor_ref         0.0701
_reflns_number_gt                5354
_reflns_number_total             6282
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om2008056_si_002.cif
_cod_data_source_block           oz317_sad
_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 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

data name '_iucr_refine_instruction_details' was replaced with
'_iucr_refine_instructions_details' as specified in the replacement
file 'data/replacement-values/replacement_tags.lst'.

Automatic conversion script
Id: cif_correct_tags 9268 2022-04-12 08:56:07Z antanas 
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4065446
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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
C1 C 0.35852(10) 0.15611(9) 0.55025(16) 0.0291(4) Uani 1 1 d .
C2 C 0.29978(10) 0.13786(9) 0.43626(16) 0.0295(4) Uani 1 1 d .
C3 C 0.27969(11) 0.17580(9) 0.34360(17) 0.0342(4) Uani 1 1 d .
H3 H 0.2393 0.1629 0.2670 0.041 Uiso 1 1 calc R
C4 C 0.31759(12) 0.23159(9) 0.36177(18) 0.0358(4) Uani 1 1 d .
C5 C 0.37726(12) 0.24819(9) 0.47569(18) 0.0351(4) Uani 1 1 d .
H5 H 0.4050 0.2858 0.4898 0.042 Uiso 1 1 calc R
C6 C 0.39741(11) 0.21215(9) 0.56836(18) 0.0325(4) Uani 1 1 d .
H6 H 0.4378 0.2254 0.6446 0.039 Uiso 1 1 calc R
C7 C 0.29607(14) 0.27359(10) 0.2630(2) 0.0451(5) Uani 1 1 d .
H7A H 0.2552 0.2536 0.1896 0.068 Uiso 1 1 calc R
H7B H 0.3409 0.2801 0.2660 0.068 Uiso 1 1 calc R
H7C H 0.2781 0.3143 0.2692 0.068 Uiso 1 1 calc R
C8 C 0.40283(10) 0.13810(8) 0.74461(16) 0.0275(4) Uani 1 1 d .
C9 C 0.45053(10) 0.10294(8) 0.84789(16) 0.0276(4) Uani 1 1 d .
C10 C 0.47575(11) 0.12929(9) 0.95318(16) 0.0306(4) Uani 1 1 d .
H10 H 0.5100 0.1056 1.0217 0.037 Uiso 1 1 calc R
C11 C 0.45320(12) 0.18805(9) 0.96197(18) 0.0347(4) Uani 1 1 d .
C12 C 0.40383(12) 0.22138(9) 0.85863(18) 0.0358(4) Uani 1 1 d .
H12 H 0.3862 0.2617 0.8609 0.043 Uiso 1 1 calc R
C13 C 0.37983(11) 0.19820(9) 0.75423(17) 0.0323(4) Uani 1 1 d .
H13 H 0.3470 0.2231 0.6869 0.039 Uiso 1 1 calc R
C14 C 0.47949(15) 0.21461(10) 1.07582(19) 0.0480(6) Uani 1 1 d .
H14A H 0.4500 0.1954 1.0975 0.072 Uiso 1 1 calc R
H14B H 0.4716 0.2603 1.0689 0.072 Uiso 1 1 calc R
H14C H 0.5340 0.2054 1.1351 0.072 Uiso 1 1 calc R
C15 C 0.16683(11) 0.07351(10) 0.39441(18) 0.0358(4) Uani 1 1 d .
H15 H 0.1435 0.0310 0.3820 0.043 Uiso 1 1 calc R
C16 C 0.17971(14) 0.10254(12) 0.4994(2) 0.0492(6) Uani 1 1 d .
H16A H 0.2015 0.1448 0.5128 0.074 Uiso 1 1 calc R
H16B H 0.2152 0.0762 0.5672 0.074 Uiso 1 1 calc R
H16C H 0.1308 0.1054 0.4860 0.074 Uiso 1 1 calc R
C17 C 0.11135(13) 0.11192(13) 0.2861(2) 0.0594(7) Uani 1 1 d .
H17A H 0.0619 0.1145 0.2712 0.089 Uiso 1 1 calc R
H17B H 0.1044 0.0917 0.2205 0.089 Uiso 1 1 calc R
H17C H 0.1319 0.1544 0.2965 0.089 Uiso 1 1 calc R
C18 C 0.24136(11) 0.02244(9) 0.30008(17) 0.0323(4) Uani 1 1 d .
H18 H 0.2116 0.0521 0.2332 0.039 Uiso 1 1 calc R
C19 C 0.31686(12) 0.00862(11) 0.32330(19) 0.0401(5) Uani 1 1 d .
H19A H 0.3459 -0.0223 0.3858 0.060 Uiso 1 1 calc R
H19B H 0.3466 0.0476 0.3457 0.060 Uiso 1 1 calc R
H19C H 0.3068 -0.0084 0.2534 0.060 Uiso 1 1 calc R
C20 C 0.19421(14) -0.03721(11) 0.2678(2) 0.0485(6) Uani 1 1 d .
H20A H 0.1827 -0.0551 0.1974 0.073 Uiso 1 1 calc R
H20B H 0.1463 -0.0271 0.2545 0.073 Uiso 1 1 calc R
H20C H 0.2233 -0.0678 0.3307 0.073 Uiso 1 1 calc R
C21 C 0.47798(10) 0.04060(8) 0.85264(16) 0.0270(4) Uani 1 1 d .
H21 H 0.5240 0.0275 0.9242 0.032 Uiso 1 1 calc R
C22 C 0.48682(11) -0.05749(8) 0.78698(16) 0.0289(4) Uani 1 1 d .
H22A H 0.4527 -0.0939 0.7661 0.035 Uiso 1 1 calc R
H22B H 0.5317 -0.0615 0.8693 0.035 Uiso 1 1 calc R
C23 C 0.27049(13) -0.09256(10) 0.54631(17) 0.0393(5) Uani 1 1 d .
O2 O 0.22324(9) -0.06183(8) 0.54514(15) 0.0515(4) Uani 1 1 d .
N1 N 0.38029(9) 0.11470(7) 0.64040(13) 0.0288(3) Uani 1 1 d .
N2 N 0.44588(9) 0.00113(7) 0.76883(13) 0.0256(3) Uani 1 1 d .
O1 O 0.32992(8) -0.06920(6) 0.56435(12) 0.0342(3) Uani 1 1 d .
C24 C 0.26082(17) -0.16240(11) 0.5243(2) 0.0602(7) Uani 1 1 d .
H24A H 0.2967 -0.1849 0.5972 0.090 Uiso 1 1 calc R
H24B H 0.2712 -0.1733 0.4707 0.090 Uiso 1 1 calc R
H24C H 0.2083 -0.1745 0.4907 0.090 Uiso 1 1 calc R
P1 P 0.25966(3) 0.06176(2) 0.42573(4) 0.02816(11) Uani 1 1 d .
Pd1 Pd 0.351946(8) 0.024444(6) 0.601528(12) 0.02588(6) 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'
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'
P P 0.1023 0.0942 '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
C6 C1 C2 118.15(17) . .
C6 C1 N1 122.80(17) . .
C2 C1 N1 118.78(17) . .
C3 C2 C1 120.65(18) . .
C3 C2 P1 126.06(15) . .
C1 C2 P1 113.22(14) . .
C4 C3 C2 121.09(19) . .
C4 C3 H3 119.5 . .
C2 C3 H3 119.5 . .
C3 C4 C5 117.46(18) . .
C3 C4 C7 121.9(2) . .
C5 C4 C7 120.67(19) . .
C6 C5 C4 122.55(19) . .
C6 C5 H5 118.7 . .
C4 C5 H5 118.7 . .
C5 C6 C1 120.06(19) . .
C5 C6 H6 120.0 . .
C1 C6 H6 120.0 . .
C4 C7 H7A 109.5 . .
C4 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
C4 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
N1 C8 C13 122.12(17) . .
N1 C8 C9 121.51(16) . .
C13 C8 C9 116.37(17) . .
C10 C9 C8 120.16(17) . .
C10 C9 C21 116.49(17) . .
C8 C9 C21 123.32(16) . .
C11 C10 C9 123.08(18) . .
C11 C10 H10 118.5 . .
C9 C10 H10 118.5 . .
C10 C11 C12 116.11(18) . .
C10 C11 C14 122.06(19) . .
C12 C11 C14 121.83(18) . .
C13 C12 C11 122.66(18) . .
C13 C12 H12 118.7 . .
C11 C12 H12 118.7 . .
C12 C13 C8 121.53(18) . .
C12 C13 H13 119.2 . .
C8 C13 H13 119.2 . .
C11 C14 H14A 109.5 . .
C11 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C11 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C17 C15 C16 111.92(19) . .
C17 C15 P1 113.17(14) . .
C16 C15 P1 109.03(15) . .
C17 C15 H15 107.5 . .
C16 C15 H15 107.5 . .
P1 C15 H15 107.5 . .
C15 C16 H16A 109.5 . .
C15 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C15 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C15 C17 H17A 109.5 . .
C15 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
C15 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
C19 C18 C20 111.17(18) . .
C19 C18 P1 109.70(14) . .
C20 C18 P1 111.97(14) . .
C19 C18 H18 108.0 . .
C20 C18 H18 108.0 . .
P1 C18 H18 108.0 . .
C18 C19 H19A 109.5 . .
C18 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
C18 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C18 C20 H20A 109.5 . .
C18 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C18 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
N2 C21 C9 125.91(18) . .
N2 C21 H21 117.0 . .
C9 C21 H21 117.0 . .
N2 C22 C22 109.85(11) . 2_656
N2 C22 H22A 109.7 . .
C22 C22 H22A 109.7 2_656 .
N2 C22 H22B 109.7 . .
C22 C22 H22B 109.7 2_656 .
H22A C22 H22B 108.2 . .
O2 C23 O1 124.3(2) . .
O2 C23 C24 120.9(2) . .
O1 C23 C24 114.8(2) . .
C8 N1 C1 120.21(15) . .
C8 N1 Pd1 119.98(12) . .
C1 N1 Pd1 117.87(12) . .
C21 N2 C22 117.80(16) . .
C21 N2 Pd1 122.65(13) . .
C22 N2 Pd1 118.24(11) . .
C23 O1 Pd1 118.70(13) . .
C23 C24 H24A 109.5 . .
C23 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C23 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C2 P1 C15 108.63(9) . .
C2 P1 C18 106.43(9) . .
C15 P1 C18 107.25(9) . .
C2 P1 Pd1 99.67(7) . .
C15 P1 Pd1 115.05(7) . .
C18 P1 Pd1 118.85(7) . .
N1 Pd1 O1 176.13(6) . .
N1 Pd1 N2 88.90(6) . .
O1 Pd1 N2 89.13(6) . .
N1 Pd1 P1 83.82(5) . .
O1 Pd1 P1 97.96(4) . .
N2 Pd1 P1 172.11(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C6 1.397(3) .
C1 C2 1.403(3) .
C1 N1 1.408(2) .
C2 C3 1.402(3) .
C2 P1 1.806(2) .
C3 C4 1.381(3) .
C3 H3 0.9500 .
C4 C5 1.397(3) .
C4 C7 1.513(3) .
C5 C6 1.379(3) .
C5 H5 0.9500 .
C6 H6 0.9500 .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C7 H7C 0.9800 .
C8 N1 1.383(2) .
C8 C13 1.415(3) .
C8 C9 1.416(3) .
C9 C10 1.402(3) .
C9 C21 1.442(3) .
C10 C11 1.381(3) .
C10 H10 0.9500 .
C11 C12 1.401(3) .
C11 C14 1.507(3) .
C12 C13 1.373(3) .
C12 H12 0.9500 .
C13 H13 0.9500 .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C15 C17 1.518(3) .
C15 C16 1.523(3) .
C15 P1 1.833(2) .
C15 H15 1.0000 .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C17 H17C 0.9800 .
C18 C19 1.521(3) .
C18 C20 1.521(3) .
C18 P1 1.836(2) .
C18 H18 1.0000 .
C19 H19A 0.9800 .
C19 H19B 0.9800 .
C19 H19C 0.9800 .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C21 N2 1.285(2) .
C21 H21 0.9500 .
C22 N2 1.466(2) .
C22 C22 1.526(3) 2_656
C22 H22A 0.9900 .
C22 H22B 0.9900 .
C23 O2 1.228(3) .
C23 O1 1.276(2) .
C23 C24 1.506(3) .
N1 Pd1 1.9889(17) .
N2 Pd1 2.0796(16) .
O1 Pd1 2.0412(15) .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
P1 Pd1 2.2326(8) .
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
C6 C1 C2 C3 -1.6(3) .
N1 C1 C2 C3 -175.84(16) .
C6 C1 C2 P1 175.55(13) .
N1 C1 C2 P1 1.3(2) .
C1 C2 C3 C4 0.8(3) .
P1 C2 C3 C4 -175.93(14) .
C2 C3 C4 C5 0.9(3) .
C2 C3 C4 C7 -179.20(18) .
C3 C4 C5 C6 -1.8(3) .
C7 C4 C5 C6 178.25(18) .
C4 C5 C6 C1 1.1(3) .
C2 C1 C6 C5 0.6(3) .
N1 C1 C6 C5 174.69(17) .
N1 C8 C9 C10 176.57(16) .
C13 C8 C9 C10 -3.3(2) .
N1 C8 C9 C21 -1.1(3) .
C13 C8 C9 C21 179.02(16) .
C8 C9 C10 C11 3.4(3) .
C21 C9 C10 C11 -178.76(17) .
C9 C10 C11 C12 -1.1(3) .
C9 C10 C11 C14 178.35(19) .
C10 C11 C12 C13 -1.2(3) .
C14 C11 C12 C13 179.4(2) .
C11 C12 C13 C8 1.1(3) .
N1 C8 C13 C12 -178.73(17) .
C9 C8 C13 C12 1.2(3) .
C10 C9 C21 N2 157.47(17) .
C8 C9 C21 N2 -24.8(3) .
C13 C8 N1 C1 23.6(3) .
C9 C8 N1 C1 -156.28(16) .
C13 C8 N1 Pd1 -140.18(15) .
C9 C8 N1 Pd1 39.9(2) .
C6 C1 N1 C8 41.1(2) .
C2 C1 N1 C8 -144.85(17) .
C6 C1 N1 Pd1 -154.72(14) .
C2 C1 N1 Pd1 19.3(2) .
C9 C21 N2 C22 173.58(16) .
C9 C21 N2 Pd1 6.9(2) .
C22 C22 N2 C21 -111.2(2) 2_656
C22 C22 N2 Pd1 56.1(2) 2_656
O2 C23 O1 Pd1 3.1(3) .
C24 C23 O1 Pd1 -177.65(15) .
C3 C2 P1 C15 -79.37(18) .
C1 C2 P1 C15 103.71(14) .
C3 C2 P1 C18 35.83(19) .
C1 C2 P1 C18 -141.09(14) .
C3 C2 P1 Pd1 159.93(15) .
C1 C2 P1 Pd1 -17.00(14) .
C17 C15 P1 C2 56.6(2) .
C16 C15 P1 C2 -68.68(17) .
C17 C15 P1 C18 -58.1(2) .
C16 C15 P1 C18 176.66(15) .
C17 C15 P1 Pd1 167.26(15) .
C16 C15 P1 Pd1 42.01(17) .
C19 C18 P1 C2 66.51(16) .
C20 C18 P1 C2 -169.57(15) .
C19 C18 P1 C15 -177.37(15) .
C20 C18 P1 C15 -53.45(18) .
C19 C18 P1 Pd1 -44.74(16) .
C20 C18 P1 Pd1 79.18(16) .
C8 N1 Pd1 O1 -102.5(8) .
C1 N1 Pd1 O1 93.4(9) .
C8 N1 Pd1 N2 -43.09(14) .
C1 N1 Pd1 N2 152.74(13) .
C8 N1 Pd1 P1 139.95(14) .
C1 N1 Pd1 P1 -24.23(12) .
C23 O1 Pd1 N1 170.2(8) .
C23 O1 Pd1 N2 110.84(15) .
C23 O1 Pd1 P1 -72.63(15) .
C21 N2 Pd1 N1 21.22(14) .
C22 N2 Pd1 N1 -145.39(13) .
C21 N2 Pd1 O1 -162.11(14) .
C22 N2 Pd1 O1 31.28(12) .
C21 N2 Pd1 P1 43.8(4) .
C22 N2 Pd1 P1 -122.8(3) .
C2 P1 Pd1 N1 19.97(7) .
C15 P1 Pd1 N1 -95.97(9) .
C18 P1 Pd1 N1 134.89(9) .
C2 P1 Pd1 O1 -156.57(7) .
C15 P1 Pd1 O1 87.49(9) .
C18 P1 Pd1 O1 -41.65(8) .
C2 P1 Pd1 N2 -2.8(3) .
C15 P1 Pd1 N2 -118.7(3) .
C18 P1 Pd1 N2 112.2(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 0.000 0.000 -0.013 492 149 ' '
2 0.500 0.500 0.029 492 149 ' '
