#------------------------------------------------------------------------------
#$Date: 2019-06-26 10:13:37 +0300 (Wed, 26 Jun 2019) $
#$Revision: 216565 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/19/1551901.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_1551901
loop_
_publ_author_name
'David C. Powers'
'Tobias Ritter'
_publ_section_title
;
 Bimetallic Pd(III) complexes in palladium-catalysed carbon-heteroatom
 bond formation
;
_journal_name_full               'Nature Chemistry'
_journal_page_first              302
_journal_page_last               309
_journal_paper_doi               10.1038/nchem.246
_journal_volume                  1
_journal_year                    2009
_chemical_compound_source        'chemical synthesis'
_chemical_formula_iupac          '[Pd3 (C2 H3 O2)3 (C13 H8 N)2 Cl]'
_chemical_formula_moiety         'C32 H25 Cl N2 O6 Pd3'
_chemical_formula_structural
;
((Pd (C2 H3 O2)2 (C13 H8 N)) (Pd (C2 H3 O2) (C13 H8 N) Cl)) Pd           
;
_chemical_formula_sum            'C32 H25 Cl N2 O6 Pd3'
_chemical_formula_weight         888.19
_chemical_name_common            DCP2
_chemical_name_systematic
; 
Tris(μ₂-acetato)-bis(benzo[h<ι>]quinolato)-(μ₂-chloro)-        
tripalladium(II)                                                         
;
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                96.989(1)
_cell_angle_beta                 95.423(1)
_cell_angle_gamma                108.992(1)
_cell_formula_units_Z            2
_cell_length_a                   10.0632(2)
_cell_length_b                   11.2475(2)
_cell_length_c                   13.9230(2)
_cell_measurement_reflns_used    13725
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      30.02
_cell_measurement_theta_min      2.24
_cell_volume                     1463.85(5)
_computing_cell_refinement       'SAINT V7.34A (Bruker AXS, 2006b)'
_computing_data_collection       'APEX2 v2.1-0 (Bruker AXS, 2006a)'
_computing_data_reduction
;
SAINT V7.34A (Bruker AXS, 2006b), SADABS (Bruker AXS, 2004)              
;
_computing_molecular_graphics    'SHELXTL v6.12 (Bruker AXS, 2001)'
_computing_publication_material  'SHELXTL v6.12 (Bruker AXS, 2001)'
_computing_structure_refinement  'SHELXTL v6.12 (Bruker AXS, 2001)'
_computing_structure_solution    'SHELXTL v6.12 (Bruker AXS, 2001)'
_diffrn_ambient_temperature      193(2)
_diffrn_detector_area_resol_mean 840
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX II CCD'
_diffrn_measurement_method       'ω scans, 2580 0.5° rotations'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0289
_diffrn_reflns_av_sigmaI/netI    0.0273
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            36302
_diffrn_reflns_theta_full        30.00
_diffrn_reflns_theta_max         30.00
_diffrn_reflns_theta_min         1.94
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.964
_exptl_absorpt_correction_T_max  0.9434
_exptl_absorpt_correction_T_min  0.7571
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'SADABS (Bruker AXS, 2004)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.015
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             868
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.095
_exptl_crystal_size_min          0.030
_refine_diff_density_max         1.876
_refine_diff_density_min         -1.375
_refine_diff_density_rms         0.112
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.091
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     400
_refine_ls_number_reflns         8529
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.091
_refine_ls_R_factor_all          0.0479
_refine_ls_R_factor_gt           0.0369
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0279P)²+3.3960P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0792
_refine_ls_wR_factor_ref         0.0834
_reflns_number_gt                7147
_reflns_number_total             8529
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            nchem.246-s4.cif
_cod_data_source_block           tr033
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Triclinic' was changed to
'triclinic' in accordance with the built-in table derived from the
CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated
on 2014-11-21.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_database_code               1551901
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pd1 Pd 0.31583(3) 0.72867(2) 0.391327(18) 0.02369(6) Uani 1 1 d . . .
Pd2 Pd 0.29317(3) 0.55473(2) 0.212309(19) 0.02652(7) Uani 1 1 d . . .
Pd3 Pd 0.41931(3) 0.86353(3) 0.12754(2) 0.03027(7) Uani 1 1 d . . .
Cl1 Cl 0.46513(12) 0.67651(9) 0.13473(8) 0.0423(2) Uani 1 1 d . . .
N1 N 0.4441(3) 0.9061(3) 0.3814(2) 0.0254(6) Uani 1 1 d . . .
C2 C 0.5846(4) 0.9492(3) 0.3865(3) 0.0321(8) Uani 1 1 d . . .
H2 H 0.6358 0.8927 0.3947 0.039 Uiso 1 1 calc R . .
C3 C 0.6583(4) 1.0757(4) 0.3802(3) 0.0371(9) Uani 1 1 d . . .
H3 H 0.7588 1.1044 0.3844 0.045 Uiso 1 1 calc R . .
C4 C 0.5871(5) 1.1591(4) 0.3680(3) 0.0386(9) Uani 1 1 d . . .
H4 H 0.6378 1.2452 0.3636 0.046 Uiso 1 1 calc R . .
C4A C 0.4391(4) 1.1164(3) 0.3622(2) 0.0324(8) Uani 1 1 d . . .
C5 C 0.3494(5) 1.1915(4) 0.3499(3) 0.0445(10) Uani 1 1 d . . .
H5 H 0.3911 1.2784 0.3433 0.053 Uiso 1 1 calc R . .
C6 C 0.2091(6) 1.1427(4) 0.3475(3) 0.0498(11) Uani 1 1 d . . .
H6 H 0.1539 1.1959 0.3391 0.060 Uiso 1 1 calc R . .
C6A C 0.1387(5) 1.0123(4) 0.3574(3) 0.0391(9) Uani 1 1 d . . .
C7 C -0.0078(5) 0.9548(5) 0.3557(4) 0.0562(13) Uani 1 1 d . . .
H7 H -0.0685 1.0037 0.3501 0.067 Uiso 1 1 calc R . .
C8 C -0.0635(5) 0.8279(5) 0.3620(4) 0.0577(13) Uani 1 1 d . . .
H8 H -0.1632 0.7901 0.3600 0.069 Uiso 1 1 calc R . .
C9 C 0.0219(4) 0.7522(4) 0.3715(3) 0.0429(9) Uani 1 1 d . . .
H9 H -0.0201 0.6643 0.3751 0.051 Uiso 1 1 calc R . .
C10 C 0.1668(4) 0.8056(3) 0.3755(3) 0.0288(7) Uani 1 1 d . . .
C10A C 0.2230(4) 0.9352(3) 0.3669(2) 0.0303(7) Uani 1 1 d . . .
C10B C 0.3715(4) 0.9883(3) 0.3696(2) 0.0257(7) Uani 1 1 d . . .
N1' N 0.3922(3) 1.0333(3) 0.1157(2) 0.0324(7) Uani 1 1 d . . .
C2' C 0.2719(5) 1.0572(4) 0.1040(3) 0.0415(9) Uani 1 1 d . . .
H2' H 0.1845 0.9897 0.1011 0.050 Uiso 1 1 calc R . .
C3' C 0.2705(5) 1.1799(5) 0.0960(3) 0.0482(11) Uani 1 1 d . . .
H3' H 0.1826 1.1942 0.0862 0.058 Uiso 1 1 calc R . .
C4' C 0.3941(6) 1.2783(4) 0.1021(3) 0.0476(11) Uani 1 1 d . . .
H4' H 0.3929 1.3616 0.0976 0.057 Uiso 1 1 calc R . .
C4A' C 0.5235(5) 1.2565(4) 0.1152(3) 0.0416(9) Uani 1 1 d . . .
C5' C 0.6621(6) 1.3507(4) 0.1237(3) 0.0498(11) Uani 1 1 d . . .
H5' H 0.6704 1.4370 0.1226 0.060 Uiso 1 1 calc R . .
C6' C 0.7806(6) 1.3201(4) 0.1331(3) 0.0521(12) Uani 1 1 d . . .
H6' H 0.8704 1.3852 0.1381 0.063 Uiso 1 1 calc R . .
C6A' C 0.7745(5) 1.1911(4) 0.1358(3) 0.0400(9) Uani 1 1 d . . .
C7' C 0.8923(5) 1.1524(5) 0.1443(3) 0.0495(11) Uani 1 1 d . . .
H7' H 0.9847 1.2134 0.1486 0.059 Uiso 1 1 calc R . .
C8' C 0.8763(5) 1.0275(5) 0.1467(3) 0.0497(11) Uani 1 1 d . . .
H8' H 0.9583 1.0030 0.1521 0.060 Uiso 1 1 calc R . .
C9' C 0.7408(5) 0.9335(4) 0.1412(3) 0.0424(9) Uani 1 1 d . . .
H9' H 0.7329 0.8474 0.1433 0.051 Uiso 1 1 calc R . .
C10' C 0.6214(4) 0.9662(4) 0.1328(3) 0.0329(8) Uani 1 1 d . . .
C10C C 0.6398(4) 1.0960(4) 0.1292(3) 0.0333(8) Uani 1 1 d . . .
C10D C 0.5174(4) 1.1306(4) 0.1200(3) 0.0332(8) Uani 1 1 d . . .
O1 O 0.4924(3) 0.6644(2) 0.41579(19) 0.0341(6) Uani 1 1 d . . .
O2 O 0.4450(3) 0.5092(2) 0.28706(19) 0.0326(5) Uani 1 1 d . . .
C11 C 0.5150(4) 0.5742(3) 0.3669(3) 0.0281(7) Uani 1 1 d . . .
C12 C 0.6373(4) 0.5367(4) 0.4074(3) 0.0409(9) Uani 1 1 d . . .
H12C H 0.7076 0.6102 0.4503 0.061 Uiso 1 1 calc R . .
H12B H 0.6814 0.5085 0.3534 0.061 Uiso 1 1 calc R . .
H12A H 0.6023 0.4672 0.4447 0.061 Uiso 1 1 calc R . .
O3 O 0.1709(3) 0.5623(2) 0.41546(19) 0.0335(6) Uani 1 1 d . . .
O4 O 0.1434(3) 0.4323(2) 0.27393(19) 0.0351(6) Uani 1 1 d . . .
C13 C 0.1120(4) 0.4602(3) 0.3568(3) 0.0286(7) Uani 1 1 d . . .
C14 C -0.0094(5) 0.3606(4) 0.3888(3) 0.0425(10) Uani 1 1 d . . .
H14A H 0.0284 0.3166 0.4352 0.064 Uiso 1 1 calc R . .
H14B H -0.0654 0.2988 0.3316 0.064 Uiso 1 1 calc R . .
H14C H -0.0699 0.4017 0.4202 0.064 Uiso 1 1 calc R . .
O5 O 0.1268(3) 0.5742(3) 0.1333(2) 0.0399(6) Uani 1 1 d . . .
O6 O 0.1978(3) 0.7829(3) 0.1225(2) 0.0401(6) Uani 1 1 d . . .
C15 C 0.1079(5) 0.6743(4) 0.1141(3) 0.0381(9) Uani 1 1 d . . .
C16 C -0.0452(5) 0.6592(5) 0.0775(4) 0.0567(13) Uani 1 1 d . . .
H16A H -0.1001 0.6513 0.1324 0.085 Uiso 1 1 calc R . .
H16B H -0.0868 0.5825 0.0280 0.085 Uiso 1 1 calc R . .
H16C H -0.0473 0.7340 0.0488 0.085 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'
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_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0 1 0 0.045
0 -1 0 0.045
0 0 1 0.075
0 0 -1 0.085
1 -1 0 0.020
9 0 -1 0.020
-5 2 1 0.020
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
C10 Pd1 N1 82.71(14) . .
C10 Pd1 O3 91.09(13) . .
N1 Pd1 O3 171.31(11) . .
C10 Pd1 O1 174.02(13) . .
N1 Pd1 O1 92.10(11) . .
O3 Pd1 O1 93.74(11) . .
C10 Pd1 Pd2 108.68(10) . .
N1 Pd1 Pd2 109.92(8) . .
O3 Pd1 Pd2 77.80(7) . .
O1 Pd1 Pd2 75.84(7) . .
O5 Pd2 O2 172.05(11) . .
O5 Pd2 O4 84.22(12) . .
O2 Pd2 O4 90.26(11) . .
O5 Pd2 Cl1 97.12(9) . .
O2 Pd2 Cl1 87.86(8) . .
O4 Pd2 Cl1 174.57(8) . .
O5 Pd2 Pd1 100.16(8) . .
O2 Pd2 Pd1 84.80(7) . .
O4 Pd2 Pd1 83.07(7) . .
Cl1 Pd2 Pd1 101.82(3) . .
C10' Pd3 N1' 82.61(15) . .
C10' Pd3 O6 170.51(14) . .
N1' Pd3 O6 87.94(12) . .
C10' Pd3 Cl1 93.57(12) . .
N1' Pd3 Cl1 175.55(9) . .
O6 Pd3 Cl1 95.91(8) . .
Pd2 Cl1 Pd3 106.27(4) . .
C2 N1 C10B 118.9(3) . .
C2 N1 Pd1 128.2(2) . .
C10B N1 Pd1 112.9(2) . .
N1 C2 C3 121.3(4) . .
N1 C2 H2 119.3 . .
C3 C2 H2 119.3 . .
C4 C3 C2 120.5(4) . .
C4 C3 H3 119.7 . .
C2 C3 H3 119.7 . .
C3 C4 C4A 119.5(3) . .
C3 C4 H4 120.2 . .
C4A C4 H4 120.2 . .
C4 C4A C10B 117.1(3) . .
C4 C4A C5 126.3(4) . .
C10B C4A C5 116.6(4) . .
C6 C5 C4A 121.8(4) . .
C6 C5 H5 119.1 . .
C4A C5 H5 119.1 . .
C5 C6 C6A 122.2(4) . .
C5 C6 H6 118.9 . .
C6A C6 H6 118.9 . .
C7 C6A C10A 117.3(4) . .
C7 C6A C6 125.3(4) . .
C10A C6A C6 117.4(4) . .
C8 C7 C6A 120.0(4) . .
C8 C7 H7 120.0 . .
C6A C7 H7 120.0 . .
C7 C8 C9 122.1(4) . .
C7 C8 H8 118.9 . .
C9 C8 H8 118.9 . .
C10 C9 C8 119.8(4) . .
C10 C9 H9 120.1 . .
C8 C9 H9 120.1 . .
C9 C10 C10A 117.8(3) . .
C9 C10 Pd1 130.2(3) . .
C10A C10 Pd1 112.0(3) . .
C6A C10A C10 123.0(4) . .
C6A C10A C10B 119.7(3) . .
C10 C10A C10B 117.3(3) . .
N1 C10B C4A 122.6(3) . .
N1 C10B C10A 115.1(3) . .
C4A C10B C10A 122.2(3) . .
C2' N1' C10D 119.0(3) . .
C2' N1' Pd3 128.1(3) . .
C10D N1' Pd3 112.8(3) . .
N1' C2' C3' 121.5(4) . .
N1' C2' H2' 119.3 . .
C3' C2' H2' 119.3 . .
C4' C3' C2' 120.3(4) . .
C4' C3' H3' 119.8 . .
C2' C3' H3' 119.8 . .
C3' C4' C4A' 119.7(4) . .
C3' C4' H4' 120.2 . .
C4A' C4' H4' 120.2 . .
C4' C4A' C10D 117.2(4) . .
C4' C4A' C5' 126.1(4) . .
C10D C4A' C5' 116.8(4) . .
C6' C5' C4A' 121.9(4) . .
C6' C5' H5' 119.1 . .
C4A' C5' H5' 119.1 . .
C5' C6' C6A' 121.5(4) . .
C5' C6' H6' 119.3 . .
C6A' C6' H6' 119.3 . .
C7' C6A' C10C 117.1(4) . .
C7' C6A' C6' 124.6(4) . .
C10C C6A' C6' 118.3(4) . .
C8' C7' C6A' 120.6(4) . .
C8' C7' H7' 119.7 . .
C6A' C7' H7' 119.7 . .
C7' C8' C9' 121.7(4) . .
C7' C8' H8' 119.2 . .
C9' C8' H8' 119.2 . .
C10' C9' C8' 120.3(4) . .
C10' C9' H9' 119.9 . .
C8' C9' H9' 119.9 . .
C9' C10' C10C 117.3(4) . .
C9' C10' Pd3 131.2(3) . .
C10C C10' Pd3 111.5(3) . .
C10D C10C C6A' 119.2(4) . .
C10D C10C C10' 117.7(3) . .
C6A' C10C C10' 123.1(4) . .
N1' C10D C10C 115.2(3) . .
N1' C10D C4A' 122.3(4) . .
C10C C10D C4A' 122.4(4) . .
C11 O1 Pd1 127.8(2) . .
C11 O2 Pd2 122.6(2) . .
O1 C11 O2 126.8(3) . .
O1 C11 C12 117.3(3) . .
O2 C11 C12 115.9(3) . .
C11 C12 H12C 109.5 . .
C11 C12 H12B 109.5 . .
H12C C12 H12B 109.5 . .
C11 C12 H12A 109.5 . .
H12C C12 H12A 109.5 . .
H12B C12 H12A 109.5 . .
C13 O3 Pd1 128.4(2) . .
C13 O4 Pd2 123.4(2) . .
O3 C13 O4 126.7(3) . .
O3 C13 C14 116.9(3) . .
O4 C13 C14 116.4(3) . .
C13 C14 H14A 109.5 . .
C13 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C13 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C15 O5 Pd2 129.0(3) . .
C15 O6 Pd3 137.3(3) . .
O6 C15 O5 128.1(4) . .
O6 C15 C16 117.0(4) . .
O5 C15 C16 115.0(4) . .
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 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pd1 C10 1.969(3) .
Pd1 N1 2.022(3) .
Pd1 O3 2.052(2) .
Pd1 O1 2.140(3) .
Pd1 Pd2 2.9168(4) .
Pd2 O5 2.003(3) .
Pd2 O2 2.005(3) .
Pd2 O4 2.021(3) .
Pd2 Cl1 2.2822(10) .
Pd3 C10' 1.974(4) .
Pd3 N1' 2.039(3) .
Pd3 O6 2.106(3) .
Pd3 Cl1 2.3068(10) .
N1 C2 1.328(5) .
N1 C10B 1.368(4) .
C2 C3 1.392(5) .
C2 H2 0.9500 .
C3 C4 1.369(6) .
C3 H3 0.9500 .
C4 C4A 1.398(6) .
C4 H4 0.9500 .
C4A C10B 1.401(5) .
C4A C5 1.436(6) .
C5 C6 1.334(7) .
C5 H5 0.9500 .
C6 C6A 1.436(6) .
C6 H6 0.9500 .
C6A C7 1.400(7) .
C6A C10A 1.405(5) .
C7 C8 1.370(7) .
C7 H7 0.9500 .
C8 C9 1.401(6) .
C8 H8 0.9500 .
C9 C10 1.377(6) .
C9 H9 0.9500 .
C10 C10A 1.406(5) .
C10A C10B 1.412(5) .
N1' C2' 1.322(5) .
N1' C10D 1.364(5) .
C2' C3' 1.404(6) .
C2' H2' 0.9500 .
C3' C4' 1.356(7) .
C3' H3' 0.9500 .
C4' C4A' 1.401(7) .
C4' H4' 0.9500 .
C4A' C10D 1.408(5) .
C4A' C5' 1.434(6) .
C5' C6' 1.343(7) .
C5' H5' 0.9500 .
C6' C6A' 1.437(6) .
C6' H6' 0.9500 .
C6A' C7' 1.389(7) .
C6A' C10C 1.414(5) .
C7' C8' 1.366(7) .
C7' H7' 0.9500 .
C8' C9' 1.416(6) .
C8' H8' 0.9500 .
C9' C10' 1.366(6) .
C9' H9' 0.9500 .
C10' C10C 1.418(5) .
C10C C10D 1.407(6) .
O1 C11 1.247(4) .
O2 C11 1.260(4) .
C11 C12 1.507(5) .
C12 H12C 0.9800 .
C12 H12B 0.9800 .
C12 H12A 0.9800 .
O3 C13 1.254(4) .
O4 C13 1.256(4) .
C13 C14 1.509(5) .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
O5 C15 1.256(5) .
O6 C15 1.246(5) .
C15 C16 1.524(6) .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
C10 Pd1 Pd2 O5 -0.41(14) . . . .
N1 Pd1 Pd2 O5 -89.27(12) . . . .
O3 Pd1 Pd2 O5 86.58(11) . . . .
O1 Pd1 Pd2 O5 -176.33(11) . . . .
C10 Pd1 Pd2 O2 -174.14(13) . . . .
N1 Pd1 Pd2 O2 97.00(12) . . . .
O3 Pd1 Pd2 O2 -87.15(11) . . . .
O1 Pd1 Pd2 O2 9.94(11) . . . .
C10 Pd1 Pd2 O4 -83.24(14) . . . .
N1 Pd1 Pd2 O4 -172.09(12) . . . .
O3 Pd1 Pd2 O4 3.75(11) . . . .
O1 Pd1 Pd2 O4 100.84(11) . . . .
C10 Pd1 Pd2 Cl1 99.15(11) . . . .
N1 Pd1 Pd2 Cl1 10.29(9) . . . .
O3 Pd1 Pd2 Cl1 -173.86(8) . . . .
O1 Pd1 Pd2 Cl1 -76.77(8) . . . .
O5 Pd2 Cl1 Pd3 48.73(9) . . . .
O2 Pd2 Cl1 Pd3 -137.49(8) . . . .
Pd1 Pd2 Cl1 Pd3 -53.26(4) . . . .
C10' Pd3 Cl1 Pd2 149.55(11) . . . .
O6 Pd3 Cl1 Pd2 -29.84(9) . . . .
C10 Pd1 N1 C2 179.0(3) . . . .
O1 Pd1 N1 C2 2.0(3) . . . .
Pd2 Pd1 N1 C2 -73.7(3) . . . .
C10 Pd1 N1 C10B 0.2(2) . . . .
O1 Pd1 N1 C10B -176.8(2) . . . .
Pd2 Pd1 N1 C10B 107.5(2) . . . .
C10B N1 C2 C3 0.0(5) . . . .
Pd1 N1 C2 C3 -178.7(3) . . . .
N1 C2 C3 C4 -0.3(6) . . . .
C2 C3 C4 C4A 0.2(6) . . . .
C3 C4 C4A C10B 0.2(5) . . . .
C3 C4 C4A C5 179.7(4) . . . .
C4 C4A C5 C6 -178.3(4) . . . .
C10B C4A C5 C6 1.2(6) . . . .
C4A C5 C6 C6A 0.2(7) . . . .
C5 C6 C6A C7 180.0(5) . . . .
C5 C6 C6A C10A -1.8(7) . . . .
C10A C6A C7 C8 -0.7(7) . . . .
C6 C6A C7 C8 177.5(5) . . . .
C6A C7 C8 C9 0.8(9) . . . .
C7 C8 C9 C10 0.6(8) . . . .
C8 C9 C10 C10A -1.8(6) . . . .
C8 C9 C10 Pd1 178.4(4) . . . .
N1 Pd1 C10 C9 179.3(4) . . . .
O3 Pd1 C10 C9 -6.8(4) . . . .
Pd2 Pd1 C10 C9 70.7(4) . . . .
N1 Pd1 C10 C10A -0.5(2) . . . .
O3 Pd1 C10 C10A 173.4(3) . . . .
Pd2 Pd1 C10 C10A -109.1(2) . . . .
C7 C6A C10A C10 -0.6(6) . . . .
C6 C6A C10A C10 -179.0(4) . . . .
C7 C6A C10A C10B -179.6(4) . . . .
C6 C6A C10A C10B 2.0(6) . . . .
C9 C10 C10A C6A 1.9(6) . . . .
Pd1 C10 C10A C6A -178.3(3) . . . .
C9 C10 C10A C10B -179.1(3) . . . .
Pd1 C10 C10A C10B 0.7(4) . . . .
C2 N1 C10B C4A 0.4(5) . . . .
Pd1 N1 C10B C4A 179.3(2) . . . .
C2 N1 C10B C10A -178.8(3) . . . .
Pd1 N1 C10B C10A 0.2(4) . . . .
C4 C4A C10B N1 -0.5(5) . . . .
C5 C4A C10B N1 179.9(3) . . . .
C4 C4A C10B C10A 178.6(3) . . . .
C5 C4A C10B C10A -1.0(5) . . . .
C6A C10A C10B N1 178.5(3) . . . .
C10 C10A C10B N1 -0.6(4) . . . .
C6A C10A C10B C4A -0.7(5) . . . .
C10 C10A C10B C4A -179.8(3) . . . .
C10' Pd3 N1' C2' 177.5(3) . . . .
O6 Pd3 N1' C2' -3.5(3) . . . .
C10' Pd3 N1' C10D -1.9(2) . . . .
O6 Pd3 N1' C10D 177.1(2) . . . .
C10D N1' C2' C3' 0.1(6) . . . .
Pd3 N1' C2' C3' -179.3(3) . . . .
N1' C2' C3' C4' -1.4(7) . . . .
C2' C3' C4' C4A' 0.9(7) . . . .
C3' C4' C4A' C10D 0.8(6) . . . .
C3' C4' C4A' C5' -179.5(4) . . . .
C4' C4A' C5' C6' -177.9(4) . . . .
C10D C4A' C5' C6' 1.8(6) . . . .
C4A' C5' C6' C6A' -0.4(7) . . . .
C5' C6' C6A' C7' 179.3(4) . . . .
C5' C6' C6A' C10C -0.7(7) . . . .
C10C C6A' C7' C8' -0.3(6) . . . .
C6' C6A' C7' C8' 179.7(4) . . . .
C6A' C7' C8' C9' -0.4(7) . . . .
C7' C8' C9' C10' 0.3(7) . . . .
C8' C9' C10' C10C 0.5(6) . . . .
C8' C9' C10' Pd3 -177.9(3) . . . .
N1' Pd3 C10' C9' -179.6(4) . . . .
Cl1 Pd3 C10' C9' -1.9(4) . . . .
N1' Pd3 C10' C10C 1.9(2) . . . .
Cl1 Pd3 C10' C10C 179.6(2) . . . .
C7' C6A' C10C C10D -179.7(4) . . . .
C6' C6A' C10C C10D 0.3(6) . . . .
C7' C6A' C10C C10' 1.1(6) . . . .
C6' C6A' C10C C10' -178.8(4) . . . .
C9' C10' C10C C10D 179.6(3) . . . .
Pd3 C10' C10C C10D -1.7(4) . . . .
C9' C10' C10C C6A' -1.3(5) . . . .
Pd3 C10' C10C C6A' 177.4(3) . . . .
C2' N1' C10D C10C -178.0(3) . . . .
Pd3 N1' C10D C10C 1.5(4) . . . .
C2' N1' C10D C4A' 1.7(5) . . . .
Pd3 N1' C10D C4A' -178.8(3) . . . .
C6A' C10C C10D N1' -179.1(3) . . . .
C10' C10C C10D N1' 0.1(5) . . . .
C6A' C10C C10D C4A' 1.2(5) . . . .
C10' C10C C10D C4A' -179.6(3) . . . .
C4' C4A' C10D N1' -2.2(6) . . . .
C5' C4A' C10D N1' 178.1(4) . . . .
C4' C4A' C10D C10C 177.5(4) . . . .
C5' C4A' C10D C10C -2.2(6) . . . .
N1 Pd1 O1 C11 -122.4(3) . . . .
O3 Pd1 O1 C11 64.0(3) . . . .
Pd2 Pd1 O1 C11 -12.4(3) . . . .
O4 Pd2 O2 C11 -95.9(3) . . . .
Cl1 Pd2 O2 C11 89.1(3) . . . .
Pd1 Pd2 O2 C11 -12.9(3) . . . .
Pd1 O1 C11 O2 7.3(5) . . . .
Pd1 O1 C11 C12 -171.8(2) . . . .
Pd2 O2 C11 O1 8.2(5) . . . .
Pd2 O2 C11 C12 -172.6(2) . . . .
C10 Pd1 O3 C13 100.7(3) . . . .
O1 Pd1 O3 C13 -82.8(3) . . . .
Pd2 Pd1 O3 C13 -8.1(3) . . . .
O5 Pd2 O4 C13 -102.6(3) . . . .
O2 Pd2 O4 C13 83.1(3) . . . .
Pd1 Pd2 O4 C13 -1.6(3) . . . .
Pd1 O3 C13 O4 10.3(5) . . . .
Pd1 O3 C13 C14 -169.6(3) . . . .
Pd2 O4 C13 O3 -4.0(5) . . . .
Pd2 O4 C13 C14 175.9(3) . . . .
O4 Pd2 O5 C15 134.4(4) . . . .
Cl1 Pd2 O5 C15 -50.9(4) . . . .
Pd1 Pd2 O5 C15 52.5(4) . . . .
N1' Pd3 O6 C15 169.7(4) . . . .
Cl1 Pd3 O6 C15 -8.0(4) . . . .
Pd3 O6 C15 O5 22.8(7) . . . .
Pd3 O6 C15 C16 -158.3(3) . . . .
Pd2 O5 C15 O6 15.7(6) . . . .
Pd2 O5 C15 C16 -163.2(3) . . . .
