#------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/50/79/1507997.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_1507997
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            'C32.5 H27 Cl5 N2 O4 Pd2'
_chemical_formula_weight         899.61
_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                 97.391(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.3484(13)
_cell_length_b                   16.5864(19)
_cell_length_c                   17.370(2)
_cell_measurement_reflns_used    9905
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.55
_cell_measurement_theta_min      2.46
_cell_volume                     3242.4(6)
_computing_cell_refinement       'SAINT 7.46A (Bruker-AXS, 2008)'
_computing_data_collection       'APEX2 3.0 (Bruker-AXS, 2008)'
_computing_data_reduction        'SAINT 7.46A (Bruker-AXS, 2008)'
_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      100(2)
_diffrn_detector_area_resol_mean 8.3
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker Smart APEX CCD'
_diffrn_measurement_method       'omega and phi 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  0.0609
_diffrn_reflns_av_sigmaI/netI    0.0339
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            84448
_diffrn_reflns_theta_full        29.89
_diffrn_reflns_theta_max         29.89
_diffrn_reflns_theta_min         1.70
_exptl_absorpt_coefficient_mu    1.563
_exptl_absorpt_correction_T_max  0.9259
_exptl_absorpt_correction_T_min  0.5270
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.843
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1780
_exptl_crystal_size_max          0.47
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.828
_refine_diff_density_min         -1.012
_refine_diff_density_rms         0.122
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     555
_refine_ls_number_reflns         9364
_refine_ls_number_restraints     595
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0625
_refine_ls_R_factor_gt           0.0361
_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)+(0.0255P)²+9.8382P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0791
_refine_ls_wR_factor_ref         0.0916
_reflns_number_gt                6532
_reflns_number_total             9364
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            nchem.1197-s3.cif
_cod_data_source_block           09119
_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_cell_volume        3242.3(6)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_original_formula_sum        'C32.50 H27 Cl5 N2 O4 Pd2'
_cod_database_code               1507997
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Pd1 Pd 0.13112(2) 0.509314(14) 0.006456(13) 0.01400(6) Uani 1 1 d . . .
Pd2 Pd 0.36861(2) 0.507786(14) -0.002806(13) 0.01398(6) Uani 1 1 d . . .
N1 N 0.1361(2) 0.41743(16) 0.08289(15) 0.0167(5) Uani 1 1 d . . .
N2 N 0.3734(2) 0.39406(16) -0.04395(16) 0.0183(5) Uani 1 1 d . . .
C1 C 0.1138(3) 0.34353(19) 0.04809(18) 0.0167(6) Uani 1 1 d . . .
C2 C 0.0851(3) 0.34647(19) -0.03427(18) 0.0170(6) Uani 1 1 d . . .
C3 C 0.0846(3) 0.42320(19) -0.06976(19) 0.0177(6) Uani 1 1 d . . .
C4 C 0.0568(3) 0.4274(2) -0.14954(19) 0.0207(6) Uani 1 1 d . . .
H4 H 0.0562 0.4779 -0.1753 0.025 Uiso 1 1 calc R . .
C5 C 0.0293(3) 0.3562(2) -0.1924(2) 0.0247(7) Uani 1 1 d . . .
H5 H 0.0100 0.3596 -0.2471 0.030 Uiso 1 1 calc R . .
C6 C 0.0295(3) 0.2818(2) -0.1572(2) 0.0265(8) Uani 1 1 d . . .
H6 H 0.0104 0.2349 -0.1877 0.032 Uiso 1 1 calc R . .
C7 C 0.0580(3) 0.2750(2) -0.0760(2) 0.0222(7) Uani 1 1 d . . .
C8 C 0.0604(3) 0.2004(2) -0.0330(2) 0.0292(8) Uani 1 1 d . . .
H8 H 0.0411 0.1515 -0.0601 0.035 Uiso 1 1 calc R . .
C9 C 0.0897(3) 0.1986(2) 0.0455(2) 0.0276(8) Uani 1 1 d . . .
H9 H 0.0917 0.1483 0.0719 0.033 Uiso 1 1 calc R . .
C10 C 0.1178(3) 0.2713(2) 0.0896(2) 0.0214(7) Uani 1 1 d . . .
C11 C 0.1473(3) 0.2761(2) 0.1705(2) 0.0233(7) Uani 1 1 d . . .
H11 H 0.1529 0.2285 0.2012 0.028 Uiso 1 1 calc R . .
C12 C 0.1681(3) 0.3506(2) 0.2052(2) 0.0237(7) Uani 1 1 d . . .
H12 H 0.1864 0.3543 0.2600 0.028 Uiso 1 1 calc R . .
C13 C 0.1624(3) 0.4203(2) 0.15998(19) 0.0186(6) Uani 1 1 d . . .
H13 H 0.1776 0.4711 0.1846 0.022 Uiso 1 1 calc R . .
C21 C 0.4032(3) 0.33788(19) 0.01246(19) 0.0181(6) Uani 1 1 d . . .
C22 C 0.4289(3) 0.3692(2) 0.08887(19) 0.0182(6) Uani 1 1 d . . .
C23 C 0.4204(3) 0.4539(2) 0.09769(19) 0.0184(6) Uani 1 1 d . . .
C24 C 0.4439(3) 0.4857(2) 0.17122(19) 0.0207(6) Uani 1 1 d . . .
H24 H 0.4395 0.5423 0.1788 0.025 Uiso 1 1 calc R . .
C25 C 0.4744(3) 0.4344(2) 0.23510(19) 0.0240(7) Uani 1 1 d . . .
H25 H 0.4888 0.4570 0.2857 0.029 Uiso 1 1 calc R . .
C26 C 0.4839(3) 0.3523(2) 0.2264(2) 0.0257(7) Uani 1 1 d . . .
H26 H 0.5056 0.3192 0.2706 0.031 Uiso 1 1 calc R . .
C27 C 0.4615(3) 0.3171(2) 0.1519(2) 0.0226(7) Uani 1 1 d . . .
C28 C 0.4676(3) 0.2319(2) 0.1349(2) 0.0270(8) Uani 1 1 d . . .
H28 H 0.4895 0.1953 0.1764 0.032 Uiso 1 1 calc R . .
C29 C 0.4430(3) 0.2023(2) 0.0616(2) 0.0272(8) Uani 1 1 d . . .
H29 H 0.4478 0.1459 0.0531 0.033 Uiso 1 1 calc R . .
C30 C 0.4101(3) 0.2547(2) -0.0030(2) 0.0224(7) Uani 1 1 d . . .
C31 C 0.3840(3) 0.2307(2) -0.0814(2) 0.0252(7) Uani 1 1 d . . .
H31 H 0.3868 0.1754 -0.0952 0.030 Uiso 1 1 calc R . .
C32 C 0.3546(3) 0.2884(2) -0.1378(2) 0.0239(7) Uani 1 1 d . . .
H32 H 0.3379 0.2725 -0.1906 0.029 Uiso 1 1 calc R . .
C33 C 0.3489(3) 0.3699(2) -0.1181(2) 0.0207(7) Uani 1 1 d . . .
H33 H 0.3276 0.4087 -0.1576 0.025 Uiso 1 1 calc R . .
O1 O 0.3662(2) 0.61928(14) 0.04674(14) 0.0205(5) Uani 1 1 d D . .
O2 O 0.1904(2) 0.59973(14) 0.09130(14) 0.0221(5) Uani 1 1 d D . .
C41 C 0.2819(3) 0.6405(2) 0.0847(2) 0.0213(7) Uani 1 1 d D . .
C42 C 0.2955(4) 0.7211(2) 0.1243(3) 0.0366(10) Uani 1 1 d D . .
H42A H 0.3445 0.7563 0.0961 0.055 Uiso 1 1 calc R . .
H42B H 0.3339 0.7141 0.1777 0.055 Uiso 1 1 calc R . .
H42C H 0.2170 0.7456 0.1249 0.055 Uiso 1 1 calc R . .
O3 O 0.3030(2) 0.56450(14) -0.11222(13) 0.0208(5) Uani 1 1 d D . .
O4 O 0.1265(2) 0.59789(14) -0.07514(14) 0.0223(5) Uani 1 1 d D . .
C51 C 0.2103(3) 0.6068(2) -0.1161(2) 0.0230(7) Uani 1 1 d D . .
C52 C 0.1951(4) 0.6758(3) -0.1739(3) 0.0422(11) Uani 1 1 d D . .
H52A H 0.2720 0.7022 -0.1759 0.063 Uiso 1 1 calc R . .
H52B H 0.1386 0.7150 -0.1577 0.063 Uiso 1 1 calc R . .
H52C H 0.1650 0.6549 -0.2254 0.063 Uiso 1 1 calc R . .
C1S C 0.2469(4) -0.0251(3) 0.1838(3) 0.0348(11) Uani 0.783(3) 1 d PDU A 1
H1S1 H 0.2714 -0.0448 0.2372 0.042 Uiso 0.783(3) 1 calc PR A 1
H1S2 H 0.2826 -0.0610 0.1475 0.042 Uiso 0.783(3) 1 calc PR A 1
Cl1S Cl 0.08945(12) -0.02885(9) 0.16300(8) 0.0420(4) Uani 0.783(3) 1 d PDU A 1
Cl2S Cl 0.29999(14) 0.07368(8) 0.17493(9) 0.0319(3) Uani 0.783(3) 1 d PDU A 1
C1T C 0.2662(18) 0.0142(10) 0.0974(9) 0.043(3) Uani 0.217(3) 1 d PDU A 2
H1T1 H 0.3512 0.0038 0.0940 0.051 Uiso 0.217(3) 1 calc PR A 2
H1T2 H 0.2382 0.0558 0.0584 0.051 Uiso 0.217(3) 1 calc PR A 2
Cl1T Cl 0.2500(6) 0.0502(4) 0.1910(3) 0.0421(14) Uani 0.217(3) 1 d PDU A 2
Cl2T Cl 0.1842(6) -0.0755(4) 0.0767(4) 0.062(2) Uani 0.217(3) 1 d PDU A 2
C1U C -0.3009(10) 0.0537(6) 0.1065(7) 0.048(2) Uani 0.490(3) 1 d PDU B 3
H1U1 H -0.2917 0.0957 0.0672 0.058 Uiso 0.490(3) 1 calc PR B 3
H1U2 H -0.3861 0.0392 0.1019 0.058 Uiso 0.490(3) 1 calc PR B 3
Cl1U Cl -0.2584(13) 0.0934(8) 0.1974(5) 0.0425(18) Uani 0.490(3) 1 d PDU B 3
Cl2U Cl -0.2194(4) -0.0315(2) 0.0860(3) 0.0875(18) Uani 0.490(3) 1 d PDU B 3
C1V C -0.233(2) 0.0665(19) 0.1063(13) 0.051(3) Uani 0.174(4) 1 d PDU C 4
H1V1 H -0.2307 0.1126 0.0703 0.061 Uiso 0.174(4) 1 calc PR C 4
H1V2 H -0.2974 0.0297 0.0845 0.061 Uiso 0.174(4) 1 calc PR C 4
Cl1V Cl -0.0958(8) 0.0151(5) 0.1156(7) 0.078(4) Uani 0.174(4) 1 d PDU C 4
Cl2V Cl -0.261(3) 0.1016(19) 0.1977(15) 0.041(5) Uani 0.174(4) 1 d PDU C 4
C1W C -0.2757(15) 0.0860(12) 0.0907(9) 0.050(3) Uani 0.299(5) 1 d PDU D 5
H1W1 H -0.2927 0.1399 0.0673 0.060 Uiso 0.299(5) 1 calc PR D 5
H1W2 H -0.3492 0.0535 0.0811 0.060 Uiso 0.299(5) 1 calc PR D 5
Cl1W Cl -0.1630(5) 0.0393(6) 0.0459(4) 0.098(3) Uani 0.299(5) 1 d PDU D 5
Cl2W Cl -0.2351(17) 0.0967(17) 0.1912(9) 0.052(3) Uani 0.299(5) 1 d PDU D 5
C1X C -0.129(13) 0.015(2) 0.046(8) 0.042(4) Uani 0.037(2) 1 d PDU E 6
H1X1 H -0.0424 0.0047 0.0578 0.050 Uiso 0.037(2) 1 calc PR E 6
H1X2 H -0.1551 -0.0011 -0.0081 0.050 Uiso 0.037(2) 1 calc PR E 6
Cl1X Cl -0.158(3) 0.1187(17) 0.0585(17) 0.042(4) Uani 0.037(2) 1 d PDU E 6
Cl2X Cl -0.207(5) -0.040(2) 0.110(3) 0.042(4) Uani 0.037(2) 1 d PDU E 6
C1Y C 0.3521(19) -0.0113(13) 0.0238(16) 0.088(4) Uani 0.230(8) 1 d PDU F -1
H1Y1 H 0.3332 0.0310 0.0605 0.106 Uiso 0.230(8) 1 calc PR F -1
H1Y2 H 0.2817 -0.0205 -0.0151 0.106 Uiso 0.230(8) 1 calc PR F -1
Cl1Y Cl 0.4784(13) 0.0162(7) -0.0220(6) 0.094(4) Uani 0.230(8) 1 d PDU F -1
Cl2Y Cl 0.3973(13) -0.1020(7) 0.0737(7) 0.081(3) Uani 0.230(8) 1 d PDU F -1
C1Z C 0.488(5) -0.0721(14) -0.0215(15) 0.174(9) Uani 0.270(8) 1 d PDU F -2
H1Z1 H 0.5670 -0.0979 -0.0216 0.208 Uiso 0.270(8) 1 calc PR F -2
H1Z2 H 0.4291 -0.1027 -0.0567 0.208 Uiso 0.270(8) 1 calc PR F -2
Cl1Z Cl 0.494(2) 0.0298(13) -0.0527(10) 0.208(8) Uani 0.270(8) 1 d PDU F -2
Cl2Z Cl 0.4478(10) -0.0711(8) 0.0745(5) 0.078(3) Uani 0.270(8) 1 d PDU F -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'
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'
Cl Cl 0.1484 0.1585 '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
C3 Pd1 N1 82.94(12) .
C3 Pd1 O4 94.27(12) .
N1 Pd1 O4 177.07(10) .
C3 Pd1 O2 176.98(11) .
N1 Pd1 O2 95.51(10) .
O4 Pd1 O2 87.23(10) .
C3 Pd1 Pd2 97.78(9) .
N1 Pd1 Pd2 95.03(7) .
O4 Pd1 Pd2 84.43(6) .
O2 Pd1 Pd2 79.74(6) .
C3 Pd1 Pd1 72.24(9) 3_565
N1 Pd1 Pd1 85.08(7) 3_565
O4 Pd1 Pd1 94.95(6) 3_565
O2 Pd1 Pd1 110.27(6) 3_565
Pd2 Pd1 Pd1 169.949(14) 3_565
C23 Pd2 N2 82.65(13) .
C23 Pd2 O1 93.20(12) .
N2 Pd2 O1 175.82(10) .
C23 Pd2 O3 177.12(11) .
N2 Pd2 O3 96.72(10) .
O1 Pd2 O3 87.40(9) .
C23 Pd2 Pd1 97.83(9) .
N2 Pd2 Pd1 95.82(7) .
O1 Pd2 Pd1 84.22(6) .
O3 Pd2 Pd1 79.43(6) .
C23 Pd2 Pd2 75.52(9) 3_665
N2 Pd2 Pd2 81.87(7) 3_665
O1 Pd2 Pd2 97.61(6) 3_665
O3 Pd2 Pd2 107.20(6) 3_665
Pd1 Pd2 Pd2 173.152(14) 3_665
C13 N1 C1 118.5(3) .
C13 N1 Pd1 128.1(2) .
C1 N1 Pd1 113.3(2) .
C33 N2 C21 119.2(3) .
C33 N2 Pd2 127.3(2) .
C21 N2 Pd2 113.5(2) .
N1 C1 C10 123.1(3) .
N1 C1 C2 114.6(3) .
C10 C1 C2 122.4(3) .
C7 C2 C3 123.2(3) .
C7 C2 C1 119.7(3) .
C3 C2 C1 117.1(3) .
C4 C3 C2 118.0(3) .
C4 C3 Pd1 130.0(3) .
C2 C3 Pd1 111.9(2) .
C3 C4 C5 119.6(3) .
C3 C4 H4 120.2 .
C5 C4 H4 120.2 .
C6 C5 C4 121.9(3) .
C6 C5 H5 119.0 .
C4 C5 H5 119.0 .
C5 C6 C7 120.2(3) .
C5 C6 H6 119.9 .
C7 C6 H6 119.9 .
C2 C7 C6 117.1(3) .
C2 C7 C8 118.0(3) .
C6 C7 C8 124.9(3) .
C9 C8 C7 121.5(3) .
C9 C8 H8 119.2 .
C7 C8 H8 119.2 .
C8 C9 C10 121.4(3) .
C8 C9 H9 119.3 .
C10 C9 H9 119.3 .
C1 C10 C11 117.1(3) .
C1 C10 C9 117.0(3) .
C11 C10 C9 125.9(3) .
C12 C11 C10 119.5(3) .
C12 C11 H11 120.3 .
C10 C11 H11 120.3 .
C11 C12 C13 120.2(3) .
C11 C12 H12 119.9 .
C13 C12 H12 119.9 .
N1 C13 C12 121.5(3) .
N1 C13 H13 119.2 .
C12 C13 H13 119.2 .
N2 C21 C30 123.2(3) .
N2 C21 C22 115.1(3) .
C30 C21 C22 121.8(3) .
C27 C22 C23 122.7(3) .
C27 C22 C21 120.2(3) .
C23 C22 C21 117.1(3) .
C24 C23 C22 118.2(3) .
C24 C23 Pd2 130.1(3) .
C22 C23 Pd2 111.6(2) .
C23 C24 C25 119.9(3) .
C23 C24 H24 120.0 .
C25 C24 H24 120.0 .
C26 C25 C24 121.8(3) .
C26 C25 H25 119.1 .
C24 C25 H25 119.1 .
C25 C26 C27 120.2(3) .
C25 C26 H26 119.9 .
C27 C26 H26 119.9 .
C22 C27 C26 117.1(3) .
C22 C27 C28 117.2(3) .
C26 C27 C28 125.7(3) .
C29 C28 C27 122.3(3) .
C29 C28 H28 118.9 .
C27 C28 H28 118.9 .
C28 C29 C30 121.1(3) .
C28 C29 H29 119.5 .
C30 C29 H29 119.5 .
C21 C30 C31 116.7(3) .
C21 C30 C29 117.5(3) .
C31 C30 C29 125.8(3) .
C32 C31 C30 119.3(3) .
C32 C31 H31 120.3 .
C30 C31 H31 120.3 .
C31 C32 C33 120.8(3) .
C31 C32 H32 119.6 .
C33 C32 H32 119.6 .
N2 C33 C32 120.8(3) .
N2 C33 H33 119.6 .
C32 C33 H33 119.6 .
C41 O1 Pd2 121.2(2) .
C41 O2 Pd1 120.2(2) .
O2 C41 O1 125.5(3) .
O2 C41 C42 118.3(3) .
O1 C41 C42 116.2(3) .
C41 C42 H42A 109.5 .
C41 C42 H42B 109.5 .
H42A C42 H42B 109.5 .
C41 C42 H42C 109.5 .
H42A C42 H42C 109.5 .
H42B C42 H42C 109.5 .
C51 O3 Pd2 118.7(2) .
C51 O4 Pd1 121.4(2) .
O3 C51 O4 125.9(3) .
O3 C51 C52 118.6(3) .
O4 C51 C52 115.5(3) .
C51 C52 H52A 109.5 .
C51 C52 H52B 109.5 .
H52A C52 H52B 109.5 .
C51 C52 H52C 109.5 .
H52A C52 H52C 109.5 .
H52B C52 H52C 109.5 .
Cl2S C1S Cl1S 111.2(3) .
Cl2S C1S H1S1 109.4 .
Cl1S C1S H1S1 109.4 .
Cl2S C1S H1S2 109.4 .
Cl1S C1S H1S2 109.4 .
H1S1 C1S H1S2 108.0 .
Cl1T C1T Cl2T 111.0(9) .
Cl1T C1T H1T1 109.4 .
Cl2T C1T H1T1 109.4 .
Cl1T C1T H1T2 109.4 .
Cl2T C1T H1T2 109.4 .
H1T1 C1T H1T2 108.0 .
Cl1U C1U Cl2U 113.8(7) .
Cl1U C1U H1U1 108.8 .
Cl2U C1U H1U1 108.8 .
Cl1U C1U H1U2 108.8 .
Cl2U C1U H1U2 108.8 .
H1U1 C1U H1U2 107.7 .
Cl2V C1V Cl1V 109.8(12) .
Cl2V C1V H1V1 109.7 .
Cl1V C1V H1V1 109.7 .
Cl2V C1V H1V2 109.7 .
Cl1V C1V H1V2 109.7 .
H1V1 C1V H1V2 108.2 .
Cl2W C1W Cl1W 111.8(10) .
Cl2W C1W H1W1 109.3 .
Cl1W C1W H1W1 109.3 .
Cl2W C1W H1W2 109.3 .
Cl1W C1W H1W2 109.3 .
H1W1 C1W H1W2 107.9 .
Cl1X C1X Cl2X 108.1(13) .
Cl1X C1X H1X1 110.1 .
Cl2X C1X H1X1 110.1 .
Cl1X C1X H1X2 110.1 .
Cl2X C1X H1X2 110.1 .
H1X1 C1X H1X2 108.4 .
Cl2Y C1Y Cl1Y 103.6(10) .
Cl2Y C1Y H1Y1 111.0 .
Cl1Y C1Y H1Y1 111.0 .
Cl2Y C1Y H1Y2 111.0 .
Cl1Y C1Y H1Y2 111.0 .
H1Y1 C1Y H1Y2 109.0 .
Cl1Z C1Z Cl2Z 107.4(12) .
Cl1Z C1Z H1Z1 110.2 .
Cl2Z C1Z H1Z1 110.2 .
Cl1Z C1Z H1Z2 110.2 .
Cl2Z C1Z H1Z2 110.2 .
H1Z1 C1Z H1Z2 108.5 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pd1 C3 1.973(3) .
Pd1 N1 2.017(3) .
Pd1 O4 2.037(2) .
Pd1 O2 2.149(2) .
Pd1 Pd2 2.7206(4) .
Pd1 Pd1 2.9718(6) 3_565
Pd2 C23 1.982(3) .
Pd2 N2 2.020(3) .
Pd2 O1 2.041(2) .
Pd2 O3 2.165(2) .
Pd2 Pd2 2.9823(6) 3_665
N1 C13 1.335(4) .
N1 C1 1.376(4) .
N2 C33 1.343(4) .
N2 C21 1.363(4) .
C1 C10 1.396(4) .
C1 C2 1.427(4) .
C2 C7 1.402(4) .
C2 C3 1.414(4) .
C3 C4 1.383(4) .
C4 C5 1.409(5) .
C4 H4 0.9500 .
C5 C6 1.376(5) .
C5 H5 0.9500 .
C6 C7 1.411(5) .
C6 H6 0.9500 .
C7 C8 1.443(5) .
C8 C9 1.362(5) .
C8 H8 0.9500 .
C9 C10 1.442(5) .
C9 H9 0.9500 .
C10 C11 1.405(5) .
C11 C12 1.381(5) .
C11 H11 0.9500 .
C12 C13 1.394(5) .
C12 H12 0.9500 .
C13 H13 0.9500 .
C21 C30 1.409(5) .
C21 C22 1.420(5) .
C22 C27 1.407(5) .
C22 C23 1.417(5) .
C23 C24 1.376(4) .
C24 C25 1.406(5) .
C24 H24 0.9500 .
C25 C26 1.375(5) .
C25 H25 0.9500 .
C26 C27 1.414(5) .
C26 H26 0.9500 .
C27 C28 1.447(5) .
C28 C29 1.359(5) .
C28 H28 0.9500 .
C29 C30 1.431(5) .
C29 H29 0.9500 .
C30 C31 1.414(5) .
C31 C32 1.379(5) .
C31 H31 0.9500 .
C32 C33 1.399(5) .
C32 H32 0.9500 .
C33 H33 0.9500 .
O1 C41 1.279(4) .
O2 C41 1.256(4) .
C41 C42 1.503(5) .
C42 H42A 0.9800 .
C42 H42B 0.9800 .
C42 H42C 0.9800 .
O3 C51 1.259(4) .
O4 C51 1.268(4) .
C51 C52 1.517(5) .
C52 H52A 0.9800 .
C52 H52B 0.9800 .
C52 H52C 0.9800 .
C1S Cl2S 1.759(5) .
C1S Cl1S 1.778(5) .
C1S H1S1 0.9900 .
C1S H1S2 0.9900 .
C1T Cl1T 1.763(12) .
C1T Cl2T 1.767(12) .
C1T H1T1 0.9900 .
C1T H1T2 0.9900 .
C1U Cl1U 1.721(10) .
C1U Cl2U 1.751(9) .
C1U H1U1 0.9900 .
C1U H1U2 0.9900 .
C1V Cl2V 1.758(14) .
C1V Cl1V 1.763(14) .
C1V H1V1 0.9900 .
C1V H1V2 0.9900 .
C1W Cl2W 1.756(13) .
C1W Cl1W 1.759(13) .
C1W H1W1 0.9900 .
C1W H1W2 0.9900 .
C1X Cl1X 1.766(16) .
C1X Cl2X 1.771(16) .
C1X H1X1 0.9900 .
C1X H1X2 0.9900 .
C1Y Cl2Y 1.778(14) .
C1Y Cl1Y 1.785(14) .
C1Y H1Y1 0.9900 .
C1Y H1Y2 0.9900 .
C1Z Cl1Z 1.778(15) .
C1Z Cl2Z 1.785(14) .
C1Z H1Z1 0.9900 .
C1Z H1Z2 0.9900 .
