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#$Date: 2021-09-15 03:16:38 +0300 (Wed, 15 Sep 2021) $
#$Revision: 269143 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/06/09/7060952.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_7060952
loop_
_publ_author_name
'Cechin, Camila N.'
'Cabral, Bruno N.'
'Bublitz, Fabrício'
'Bortolotto, Tanize'
'da Silveira, Géssica D.'
'de Carvalho, Leandro M.'
'Cargnelutti, Roberta'
'Abram, Ulrich'
'Nakagaki, Shirley'
'Lang, Ernesto S.'
'Tirloni, Bárbara'
_publ_section_title
;
 Nuclearity growth of new PdII complexes induced by the electronic effect
 of selenium-containing ligands
;
_journal_name_full               'New Journal of Chemistry'
_journal_paper_doi               10.1039/D1NJ03710B
_journal_year                    2021
_chemical_formula_moiety         'C32 H24 Cl2 F12 N4 P2 Pd2 Se2'
_chemical_formula_sum            'C32 H24 Cl2 F12 N4 P2 Pd2 Se2'
_chemical_formula_weight         1196.11
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2021-08-25 deposited with the CCDC.	2021-08-30 downloaded from the CCDC.
;
_cell_angle_alpha                107.372(2)
_cell_angle_beta                 92.431(2)
_cell_angle_gamma                105.091(2)
_cell_formula_units_Z            2
_cell_length_a                   8.2149(5)
_cell_length_b                   15.0033(10)
_cell_length_c                   16.3008(10)
_cell_measurement_reflns_used    8085
_cell_measurement_temperature    145(2)
_cell_measurement_theta_max      26.40
_cell_measurement_theta_min      2.28
_cell_volume                     1835.5(2)
_computing_cell_refinement       'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_data_collection       'APEX3 v2015.5-2 (Bruker AXS Inc., 2015)'
_computing_data_reduction        'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_molecular_graphics    'Diamond (version 4.4.1)'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2018 (Sheldrick, 2018)'
_diffrn_ambient_temperature      145(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker D8 Venture Photon 100 diffractometer'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0891
_diffrn_reflns_av_unetI/netI     0.0729
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            31789
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.422
_diffrn_reflns_theta_min         2.282
_diffrn_source                   'microfocus X ray tube'
_exptl_absorpt_coefficient_mu    3.290
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.6724
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_crystal_colour            'yellow orange'
_exptl_crystal_density_diffrn    2.164
_exptl_crystal_description       needle
_exptl_crystal_F_000             1152
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.01
_refine_diff_density_max         2.021
_refine_diff_density_min         -1.329
_refine_diff_density_rms         0.161
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     489
_refine_ls_number_reflns         7546
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.014
_refine_ls_R_factor_all          0.0751
_refine_ls_R_factor_gt           0.0416
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0154P)²+4.9627P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0649
_refine_ls_wR_factor_ref         0.0732
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5524
_reflns_number_total             7546
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1nj03710b2.cif
_cod_data_source_block           CC29B_b_a
_cod_database_code               7060952
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pd1 Pd 0.73859(5) 0.70205(3) 0.13577(2) 0.01217(10) Uani 1 1 d . . . . .
Pd2 Pd 0.64441(5) 0.51238(3) 0.23013(2) 0.01172(9) Uani 1 1 d . . . . .
Se1 Se 0.87312(6) 0.65622(4) 0.24370(3) 0.01569(12) Uani 1 1 d . . . . .
Se2 Se 0.49153(6) 0.59291(4) 0.16178(3) 0.01180(11) Uani 1 1 d . . . . .
Cl2 Cl 0.28377(19) 0.85996(11) 0.50459(10) 0.0345(4) Uani 1 1 d . . . . .
P1 P 0.73643(19) 1.04705(10) 0.19935(9) 0.0221(3) Uani 1 1 d . . . . .
P2 P 1.0000 0.5000 0.0000 0.0179(4) Uani 1 2 d S . P . .
P3 P 0.5000 0.5000 0.5000 0.0182(4) Uani 1 2 d S . P . .
F1 F 0.3080(3) 0.4756(2) 0.52227(18) 0.0251(7) Uani 1 1 d . . . . .
F2 F 0.4904(4) 0.3870(2) 0.47357(18) 0.0234(7) Uani 1 1 d . . . . .
F3 F 0.4313(4) 0.4854(2) 0.40237(17) 0.0242(7) Uani 1 1 d . . . . .
F4 F 0.8267(4) 0.5037(2) 0.0392(2) 0.0466(11) Uani 1 1 d . . . . .
F5 F 1.0998(4) 0.5973(2) 0.0751(2) 0.0373(9) Uani 1 1 d . . . . .
F6 F 0.9649(5) 0.5631(3) -0.0575(3) 0.0592(12) Uani 1 1 d . . . . .
F7 F 0.8391(4) 1.0908(2) 0.29400(19) 0.0323(8) Uani 1 1 d . . . . .
F8 F 0.7952(4) 1.1530(2) 0.18795(19) 0.0275(8) Uani 1 1 d . . . . .
F9 F 0.6327(4) 1.0045(2) 0.1037(2) 0.0374(9) Uani 1 1 d . . . . .
F10 F 0.6780(4) 0.9408(2) 0.2085(2) 0.0425(10) Uani 1 1 d . . . . .
F11 F 0.5698(4) 1.0701(2) 0.2371(2) 0.0343(8) Uani 1 1 d . . . . .
F12 F 0.9025(4) 1.0249(2) 0.1597(2) 0.0345(8) Uani 1 1 d . . . . .
N1 N 0.6269(5) 0.7366(3) 0.0393(3) 0.0154(9) Uani 1 1 d . . . . .
N2 N 0.9483(5) 0.7936(3) 0.1096(3) 0.0184(10) Uani 1 1 d . . . . .
N3 N 0.7706(5) 0.4422(3) 0.2902(3) 0.0184(10) Uani 1 1 d . . . . .
N4 N 0.4480(5) 0.3911(3) 0.2232(2) 0.0131(9) Uani 1 1 d . . . . .
C1 C 0.4610(7) 0.7066(4) 0.0080(3) 0.0195(12) Uani 1 1 d . . . . .
H1 H 0.3857 0.6597 0.0276 0.023 Uiso 1 1 calc R U . . .
C2 C 0.3963(8) 0.7414(4) -0.0515(3) 0.0246(13) Uani 1 1 d . . . . .
H2 H 0.2785 0.7185 -0.0729 0.029 Uiso 1 1 calc R U . . .
C3 C 0.5049(8) 0.8098(4) -0.0792(3) 0.0261(14) Uani 1 1 d . . . . .
H3 H 0.4624 0.8368 -0.1184 0.031 Uiso 1 1 calc R U . . .
C4 C 0.6755(8) 0.8388(4) -0.0496(3) 0.0260(14) Uani 1 1 d . . . . .
H4 H 0.7521 0.8843 -0.0700 0.031 Uiso 1 1 calc R U . . .
C5 C 0.7365(7) 0.8019(4) 0.0097(3) 0.0182(12) Uani 1 1 d . . . . .
C6 C 0.9172(7) 0.8287(4) 0.0454(4) 0.0217(13) Uani 1 1 d . . . . .
C7 C 1.0468(8) 0.8854(4) 0.0162(4) 0.0342(16) Uani 1 1 d . . . . .
H7 H 1.0230 0.9076 -0.0306 0.041 Uiso 1 1 calc R U . . .
C8 C 1.2125(8) 0.9099(4) 0.0558(5) 0.0406(18) Uani 1 1 d . . . . .
H8 H 1.3037 0.9488 0.0365 0.049 Uiso 1 1 calc R U . . .
C9 C 1.2422(7) 0.8766(4) 0.1238(5) 0.0389(18) Uani 1 1 d . . . . .
H9 H 1.3540 0.8937 0.1529 0.047 Uiso 1 1 calc R U . . .
C10 C 1.1089(7) 0.8187(4) 0.1487(4) 0.0294(15) Uani 1 1 d . . . . .
H10 H 1.1302 0.7954 0.1951 0.035 Uiso 1 1 calc R U . . .
C11 C 0.9339(6) 0.4737(5) 0.3234(3) 0.0254(14) Uani 1 1 d . . . . .
H11 H 1.0048 0.5300 0.3141 0.031 Uiso 1 1 calc R U . . .
C12 C 1.0036(7) 0.4271(4) 0.3709(4) 0.0275(10) Uani 1 1 d . . . . .
H12 H 1.1199 0.4520 0.3952 0.033 Uiso 1 1 calc R U . . .
C13 C 0.9026(8) 0.3448(5) 0.3824(4) 0.0324(16) Uani 1 1 d . . . . .
H13 H 0.9485 0.3111 0.4140 0.039 Uiso 1 1 calc R U . . .
C14 C 0.7343(7) 0.3112(4) 0.3479(3) 0.0237(13) Uani 1 1 d . . . . .
H14 H 0.6626 0.2539 0.3551 0.028 Uiso 1 1 calc R U . . .
C15 C 0.6705(7) 0.3621(4) 0.3024(3) 0.0183(12) Uani 1 1 d . . . . .
C16 C 0.4887(7) 0.3337(4) 0.2664(3) 0.0174(12) Uani 1 1 d . . . . .
C17 C 0.3657(7) 0.2571(4) 0.2779(3) 0.0236(13) Uani 1 1 d . . . . .
H17 H 0.3968 0.2171 0.3077 0.028 Uiso 1 1 calc R U . . .
C18 C 0.1978(7) 0.2388(4) 0.2458(3) 0.0275(10) Uani 1 1 d . . . . .
H18 H 0.1114 0.1877 0.2545 0.033 Uiso 1 1 calc R U . . .
C19 C 0.1589(6) 0.2968(4) 0.2008(3) 0.0179(12) Uani 1 1 d . . . . .
H19 H 0.0447 0.2850 0.1772 0.021 Uiso 1 1 calc R U . . .
C20 C 0.2854(6) 0.3717(4) 0.1902(3) 0.0150(11) Uani 1 1 d . . . . .
H20 H 0.2568 0.4107 0.1587 0.018 Uiso 1 1 calc R U . . .
C21 C 0.4252(8) 0.6748(4) 0.2626(4) 0.0324(9) Uani 1 1 d . . . . .
C22 C 0.4405(8) 0.7705(4) 0.2732(4) 0.0324(9) Uani 1 1 d . . . . .
H22 H 0.4826 0.7977 0.2300 0.039 Uiso 1 1 calc R U . . .
C23 C 0.3948(8) 0.8278(4) 0.3467(4) 0.0324(9) Uani 1 1 d . . . . .
H23 H 0.4062 0.8944 0.3541 0.039 Uiso 1 1 calc R U . . .
C24 C 0.3329(6) 0.7886(4) 0.4095(3) 0.0186(12) Uani 1 1 d . . . . .
C25 C 0.3161(7) 0.6934(4) 0.3983(3) 0.0265(14) Uani 1 1 d . . . . .
H25 H 0.2733 0.6657 0.4412 0.032 Uiso 1 1 calc R U . . .
C26 C 0.3612(8) 0.6368(4) 0.3245(4) 0.0302(14) Uani 1 1 d . . . . .
H26 H 0.3474 0.5698 0.3166 0.036 Uiso 1 1 calc R U . . .
Cl1A Cl 0.7409(6) 0.9229(3) 0.6081(2) 0.0247(9) Uani 0.503(7) 1 d . . P A 1
C27A C 0.844(2) 0.7546(10) 0.3473(10) 0.0129(8) Uani 0.503(7) 1 d . . P A 1
C28A C 0.8149(14) 0.8231(8) 0.3600(7) 0.0129(8) Uani 0.503(7) 1 d . . P A 1
H28A H 0.8062 0.8449 0.3113 0.016 Uiso 0.503(7) 1 calc R U P A 1
C29A C 0.7875(13) 0.8848(8) 0.4395(6) 0.0129(8) Uani 0.503(7) 1 d . . P A 1
H29A H 0.7726 0.9468 0.4445 0.016 Uiso 0.503(7) 1 calc R U P A 1
C30A C 0.7836(14) 0.8506(9) 0.5098(7) 0.0129(8) Uani 0.503(7) 1 d . . P A 1
C31A C 0.8084(14) 0.7623(8) 0.5045(7) 0.0129(8) Uani 0.503(7) 1 d . . P A 1
H31A H 0.8080 0.7419 0.5544 0.016 Uiso 0.503(7) 1 calc R U P A 1
C32A C 0.8339(14) 0.7029(9) 0.4258(7) 0.0129(8) Uani 0.503(7) 1 d . . P A 1
H32A H 0.8445 0.6393 0.4172 0.016 Uiso 0.252(3) 1 calc R U P A 1
H32B H 0.8445 0.6393 0.4172 0.016 Uiso 0.252(3) 1 calc R U P A 1
Cl1B Cl 0.8046(6) 0.9674(4) 0.6016(2) 0.0279(10) Uani 0.497(7) 1 d . . P A 2
C27B C 0.835(2) 0.7351(10) 0.3550(10) 0.0129(8) Uani 0.497(7) 1 d . . P A 2
C28B C 0.8828(14) 0.8540(8) 0.3571(7) 0.0129(8) Uani 0.497(7) 1 d . . P A 2
H28B H 0.9133 0.8733 0.3080 0.016 Uiso 0.248(3) 1 calc R U P A 2
H28C H 0.9133 0.8733 0.3080 0.016 Uiso 0.248(3) 1 calc R U P A 2
C29B C 0.8733(13) 0.9194(8) 0.4349(6) 0.0129(8) Uani 0.497(7) 1 d . . P A 2
H29B H 0.9027 0.9871 0.4422 0.016 Uiso 0.497(7) 1 calc R U P A 2
C30B C 0.8205(14) 0.8860(8) 0.5029(7) 0.0129(8) Uani 0.497(7) 1 d . . P A 2
C31B C 0.7843(14) 0.7883(9) 0.4952(7) 0.0129(8) Uani 0.497(7) 1 d . . P A 2
H31B H 0.7500 0.7663 0.5424 0.016 Uiso 0.497(7) 1 calc R U P A 2
C32B C 0.7991(14) 0.7230(9) 0.4166(7) 0.0129(8) Uani 0.497(7) 1 d . . P A 2
H32C H 0.7740 0.6571 0.4155 0.016 Uiso 0.497(7) 1 calc R U P A 2
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'
Cl Cl 0.1484 0.1585 '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'
N N 0.0061 0.0033 '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'
Se Se -0.0929 2.2259 '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
_geom_angle_publ_flag
N1 Pd1 N2 80.32(17) . . ?
N1 Pd1 Se2 98.49(12) . . ?
N2 Pd1 Se2 178.31(13) . . ?
N1 Pd1 Se1 177.41(11) . . ?
N2 Pd1 Se1 99.31(13) . . ?
Se2 Pd1 Se1 81.83(2) . . ?
N3 Pd2 N4 79.83(17) . . ?
N3 Pd2 Se2 178.62(12) . . ?
N4 Pd2 Se2 99.08(11) . . ?
N3 Pd2 Se1 99.57(13) . . ?
N4 Pd2 Se1 177.94(11) . . ?
Se2 Pd2 Se1 81.50(2) . . ?
C27B Se1 Pd1 106.7(4) . . ?
C27A Se1 Pd1 99.1(4) . . ?
C27B Se1 Pd2 97.2(4) . . ?
C27A Se1 Pd2 104.9(4) . . ?
Pd1 Se1 Pd2 95.38(2) . . ?
C21 Se2 Pd1 102.60(18) . . ?
C21 Se2 Pd2 99.79(18) . . ?
Pd1 Se2 Pd2 95.69(2) . . ?
F7 P1 F10 91.30(19) . . ?
F7 P1 F11 90.75(18) . . ?
F10 P1 F11 90.7(2) . . ?
F7 P1 F12 90.24(18) . . ?
F10 P1 F12 90.27(19) . . ?
F11 P1 F12 178.6(2) . . ?
F7 P1 F9 179.1(2) . . ?
F10 P1 F9 89.54(19) . . ?
F11 P1 F9 88.98(19) . . ?
F12 P1 F9 90.01(19) . . ?
F7 P1 F8 89.76(17) . . ?
F10 P1 F8 178.8(2) . . ?
F11 P1 F8 89.95(18) . . ?
F12 P1 F8 89.11(18) . . ?
F9 P1 F8 89.41(17) . . ?
F6 P2 F6 180.0 2_765 . ?
F6 P2 F5 90.4(2) 2_765 . ?
F6 P2 F5 89.6(2) . . ?
F6 P2 F5 89.6(2) 2_765 2_765 ?
F6 P2 F5 90.4(2) . 2_765 ?
F5 P2 F5 180.0 . 2_765 ?
F6 P2 F4 90.1(2) 2_765 . ?
F6 P2 F4 89.9(2) . . ?
F5 P2 F4 90.48(16) . . ?
F5 P2 F4 89.51(16) 2_765 . ?
F6 P2 F4 89.9(2) 2_765 2_765 ?
F6 P2 F4 90.1(2) . 2_765 ?
F5 P2 F4 89.52(16) . 2_765 ?
F5 P2 F4 90.48(16) 2_765 2_765 ?
F4 P2 F4 180.0 . 2_765 ?
F3 P3 F3 180.0 . 2_666 ?
F3 P3 F2 89.95(15) . 2_666 ?
F3 P3 F2 90.05(15) 2_666 2_666 ?
F3 P3 F2 90.05(15) . . ?
F3 P3 F2 89.95(15) 2_666 . ?
F2 P3 F2 180.0 2_666 . ?
F3 P3 F1 90.02(15) . 2_666 ?
F3 P3 F1 89.98(15) 2_666 2_666 ?
F2 P3 F1 90.11(15) 2_666 2_666 ?
F2 P3 F1 89.89(15) . 2_666 ?
F3 P3 F1 89.98(15) . . ?
F3 P3 F1 90.02(15) 2_666 . ?
F2 P3 F1 89.89(15) 2_666 . ?
F2 P3 F1 90.11(15) . . ?
F1 P3 F1 180.0(2) 2_666 . ?
C1 N1 C5 119.1(5) . . ?
C1 N1 Pd1 126.9(3) . . ?
C5 N1 Pd1 113.8(3) . . ?
C6 N2 C10 119.0(5) . . ?
C6 N2 Pd1 114.6(3) . . ?
C10 N2 Pd1 126.3(4) . . ?
C11 N3 C15 119.1(5) . . ?
C11 N3 Pd2 126.1(4) . . ?
C15 N3 Pd2 114.5(3) . . ?
C20 N4 C16 118.8(4) . . ?
C20 N4 Pd2 126.4(3) . . ?
C16 N4 Pd2 114.2(3) . . ?
N1 C1 C2 122.2(5) . . ?
C3 C2 C1 118.9(5) . . ?
C4 C3 C2 119.2(5) . . ?
C3 C4 C5 120.3(5) . . ?
N1 C5 C4 120.1(5) . . ?
N1 C5 C6 115.6(5) . . ?
C4 C5 C6 124.3(5) . . ?
N2 C6 C7 121.5(5) . . ?
N2 C6 C5 115.2(4) . . ?
C7 C6 C5 123.3(5) . . ?
C6 C7 C8 119.4(6) . . ?
C9 C8 C7 118.7(5) . . ?
C10 C9 C8 119.3(6) . . ?
N2 C10 C9 122.1(6) . . ?
N3 C11 C12 122.1(6) . . ?
C13 C12 C11 119.0(5) . . ?
C12 C13 C14 119.4(5) . . ?
C13 C14 C15 119.1(6) . . ?
N3 C15 C14 121.3(5) . . ?
N3 C15 C16 115.9(4) . . ?
C14 C15 C16 122.7(5) . . ?
N4 C16 C17 121.3(5) . . ?
N4 C16 C15 115.1(5) . . ?
C17 C16 C15 123.6(5) . . ?
C18 C17 C16 119.8(5) . . ?
C19 C18 C17 118.3(5) . . ?
C20 C19 C18 120.0(5) . . ?
N4 C20 C19 121.8(5) . . ?
C26 C21 C22 119.0(5) . . ?
C26 C21 Se2 119.7(4) . . ?
C22 C21 Se2 121.3(4) . . ?
C21 C22 C23 120.0(5) . . ?
C24 C23 C22 120.2(5) . . ?
C25 C24 C23 119.5(5) . . ?
C25 C24 Cl2 119.1(4) . . ?
C23 C24 Cl2 121.3(4) . . ?
C24 C25 C26 119.7(5) . . ?
C21 C26 C25 121.5(5) . . ?
C28A C27A C32A 118.6(14) . . ?
C28A C27A Se1 135.0(13) . . ?
C32A C27A Se1 105.4(8) . . ?
C27A C28A C29A 128.6(13) . . ?
C30A C29A C28A 117.0(10) . . ?
C31A C30A C29A 122.5(10) . . ?
C31A C30A Cl1A 119.3(8) . . ?
C29A C30A Cl1A 118.2(9) . . ?
C30A C31A C32A 119.4(10) . . ?
C31A C32A C27A 113.3(10) . . ?
C32B C27B C28B 114.8(15) . . ?
C32B C27B Se1 136.3(13) . . ?
C28B C27B Se1 108.8(8) . . ?
C29B C28B C27B 115.0(10) . . ?
C28B C29B C30B 119.7(10) . . ?
C31B C30B C29B 121.3(10) . . ?
C31B C30B Cl1B 118.3(9) . . ?
C29B C30B Cl1B 120.4(8) . . ?
C30B C31B C32B 118.5(10) . . ?
C27B C32B C31B 130.7(14) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pd1 N1 2.048(4) . ?
Pd1 N2 2.053(4) . ?
Pd1 Se2 2.3953(6) . ?
Pd1 Se1 2.3965(7) . ?
Pd2 N3 2.059(4) . ?
Pd2 N4 2.064(4) . ?
Pd2 Se2 2.3986(6) . ?
Pd2 Se1 2.4093(7) . ?
Se1 C27B 1.935(17) . ?
Se1 C27A 1.952(16) . ?
Se2 C21 1.931(6) . ?
Cl2 C24 1.732(5) . ?
P1 F7 1.587(3) . ?
P1 F10 1.594(3) . ?
P1 F11 1.601(4) . ?
P1 F12 1.603(4) . ?
P1 F9 1.604(3) . ?
P1 F8 1.606(3) . ?
P2 F6 1.583(4) 2_765 ?
P2 F6 1.583(4) . ?
P2 F5 1.589(3) . ?
P2 F5 1.589(3) 2_765 ?
P2 F4 1.593(3) . ?
P2 F4 1.593(3) 2_765 ?
P3 F3 1.597(3) . ?
P3 F3 1.597(3) 2_666 ?
P3 F2 1.600(3) 2_666 ?
P3 F2 1.600(3) . ?
P3 F1 1.606(3) 2_666 ?
P3 F1 1.606(3) . ?
N1 C1 1.343(6) . ?
N1 C5 1.365(6) . ?
N2 C6 1.347(7) . ?
N2 C10 1.348(7) . ?
N3 C11 1.331(6) . ?
N3 C15 1.343(7) . ?
N4 C20 1.342(6) . ?
N4 C16 1.356(6) . ?
C1 C2 1.379(7) . ?
C2 C3 1.374(8) . ?
C3 C4 1.374(8) . ?
C4 C5 1.384(7) . ?
C5 C6 1.477(8) . ?
C6 C7 1.378(7) . ?
C7 C8 1.389(9) . ?
C8 C9 1.382(9) . ?
C9 C10 1.369(8) . ?
C11 C12 1.383(7) . ?
C12 C13 1.367(8) . ?
C13 C14 1.372(8) . ?
C14 C15 1.386(7) . ?
C15 C16 1.484(7) . ?
C16 C17 1.385(7) . ?
C17 C18 1.381(8) . ?
C18 C19 1.379(7) . ?
C19 C20 1.378(7) . ?
C21 C26 1.360(7) . ?
C21 C22 1.365(7) . ?
C22 C23 1.381(8) . ?
C23 C24 1.377(7) . ?
C24 C25 1.355(7) . ?
C25 C26 1.377(7) . ?
Cl1A C30A 1.753(12) . ?
C27A C28A 1.079(18) . ?
C27A C32A 1.677(18) . ?
C28A C29A 1.416(14) . ?
C29A C30A 1.386(14) . ?
C30A C31A 1.371(14) . ?
C31A C32A 1.386(15) . ?
Cl1B C30B 1.739(11) . ?
C27B C32B 1.112(19) . ?
C27B C28B 1.714(18) . ?
C28B C29B 1.372(14) . ?
C29B C30B 1.388(15) . ?
C30B C31B 1.383(15) . ?
C31B C32B 1.394(15) . ?
