#------------------------------------------------------------------------------
#$Date: 2016-03-24 17:09:42 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179679 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/01/7000105.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_7000105
loop_
_publ_author_name
'Majoumo-Mbe, Félicité'
'Lönnecke, Peter'
'Novikova, Elena V.'
'Belov, Gennadiy P.'
'Hey-Hawkins, Evamarie'
_publ_section_title
;
 Oligodentate P,N ligands:
 N,N,N',N'-tetrakis(diphenylphosphanyl)-1,3-diaminobenzene complexes of
 rhodium, nickel and palladium.
;
_journal_issue                   20
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3326
_journal_page_last               3330
_journal_paper_doi               10.1039/b508537c
_journal_year                    2005
_chemical_formula_sum            'C58 H52 Cl12 N2 P4 Pd2'
_chemical_formula_weight         1539.10
_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                 96.097(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.592(2)
_cell_length_b                   22.333(3)
_cell_length_c                   16.920(2)
_cell_measurement_reflns_used    1018
_cell_measurement_temperature    208(2)
_cell_measurement_theta_max      27.37
_cell_measurement_theta_min      2.73
_cell_volume                     6610.0(14)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'ORTEP3 for Windows (L. J. Farrugia, 1997)'
_computing_publication_material  'WINGX (L.J. Farrugia,1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      208(2)
_diffrn_measured_fraction_theta_full 0.894
_diffrn_measured_fraction_theta_max 0.894
_diffrn_measurement_device_type  'ccd area detector'
_diffrn_measurement_method       ω-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  0.0264
_diffrn_reflns_av_sigmaI/netI    0.0337
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            42507
_diffrn_reflns_theta_full        29.31
_diffrn_reflns_theta_max         29.31
_diffrn_reflns_theta_min         1.99
_exptl_absorpt_coefficient_mu    1.164
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.547
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3080
_exptl_crystal_preparation
;
To avoid loss of CH2Cl2 the crystal was encapsulated with epoxy resin
and mounted on a glass needle
;
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.763
_refine_diff_density_min         -1.293
_refine_diff_density_rms         0.089
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_matrix_type           full
_refine_ls_number_parameters     617
_refine_ls_number_reflns         16184
_refine_ls_number_restraints     43
_refine_ls_restrained_S_all      1.049
_refine_ls_R_factor_all          0.0697
_refine_ls_R_factor_gt           0.0443
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0671P)²+5.2071P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1226
_refine_ls_wR_factor_ref         0.1342
_reflns_number_gt                11258
_reflns_number_total             16184
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b508537c.txt
_cod_data_source_block           c1231fin_squeeze
_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_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        6610.1(14)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7000105
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 0.322474(16) 0.138074(12) 0.525480(18) 0.04374(9) Uani 1 1 d . A .
Pd2 Pd 0.242329(16) -0.266594(11) 0.757425(15) 0.03778(8) Uani 1 1 d . . .
Cl1 Cl 0.25345(8) 0.16796(7) 0.40531(9) 0.0866(4) Uani 1 1 d . . .
Cl2 Cl 0.43605(6) 0.18529(5) 0.50133(9) 0.0713(3) Uani 1 1 d . . .
Cl3 Cl 0.14926(7) -0.33784(5) 0.78476(6) 0.0573(3) Uani 1 1 d . . .
Cl4 Cl 0.33530(7) -0.33661(5) 0.72872(6) 0.0573(3) Uani 1 1 d . . .
P1 P 0.23044(5) 0.09038(4) 0.57838(5) 0.03639(19) Uani 1 1 d . A .
P2 P 0.37357(5) 0.09685(4) 0.63748(6) 0.0410(2) Uani 1 1 d . . .
P3 P 0.17714(5) -0.18712(4) 0.78919(5) 0.03776(19) Uani 1 1 d . . .
P4 P 0.30716(5) -0.18633(4) 0.72786(5) 0.03507(18) Uani 1 1 d . . .
N1 N 0.29096(16) 0.06097(12) 0.65339(16) 0.0364(6) Uani 1 1 d . A .
N2 N 0.24301(16) -0.13740(12) 0.76237(16) 0.0367(6) Uani 1 1 d . A .
C1 C 0.17673(19) 0.03198(16) 0.5256(2) 0.0396(7) Uani 1 1 d D . .
C2 C 0.1214(2) -0.00038(17) 0.5608(3) 0.0494(9) Uani 1 1 d D A .
H2 H 0.1124 0.0076 0.6135 0.059 Uiso 1 1 calc R . .
C3 C 0.0799(2) -0.04448(19) 0.5176(3) 0.0619(11) Uani 1 1 d D . .
H3 H 0.0426 -0.0665 0.5411 0.074 Uiso 1 1 calc R A .
C4 C 0.0932(3) -0.0560(2) 0.4404(3) 0.0679(13) Uani 1 1 d D A .
H4 H 0.0644 -0.0857 0.4114 0.081 Uiso 1 1 calc R . .
C5 C 0.1470(3) -0.0254(2) 0.4055(3) 0.0680(13) Uani 1 1 d D . .
H5 H 0.1558 -0.0343 0.3529 0.082 Uiso 1 1 calc R A .
C6 C 0.1896(2) 0.01955(19) 0.4477(2) 0.0550(10) Uani 1 1 d D A .
H6 H 0.2266 0.0412 0.4235 0.066 Uiso 1 1 calc R . .
C7 C 0.1625(2) 0.13887(17) 0.6193(2) 0.0473(9) Uani 1 1 d . . .
C8 C 0.0899(3) 0.1478(2) 0.5796(3) 0.0641(12) Uani 1 1 d . A .
H8 H 0.0738 0.1255 0.5338 0.077 Uiso 1 1 calc R . .
C9 C 0.0415(3) 0.1899(2) 0.6080(4) 0.0872(18) Uani 1 1 d . . .
H9 H -0.0079 0.1954 0.5819 0.105 Uiso 1 1 calc R A .
C10 C 0.0650(4) 0.2234(3) 0.6735(4) 0.103(2) Uani 1 1 d . A .
H10 H 0.0310 0.2509 0.6928 0.124 Uiso 1 1 calc R . .
C11 C 0.1378(4) 0.2175(3) 0.7121(4) 0.0945(19) Uani 1 1 d . . .
H11 H 0.1539 0.2418 0.7560 0.113 Uiso 1 1 calc R A .
C12 C 0.1869(3) 0.1753(2) 0.6851(3) 0.0681(13) Uani 1 1 d . A .
H12 H 0.2366 0.1710 0.7109 0.082 Uiso 1 1 calc R . .
C13 C 0.4487(2) 0.04419(18) 0.6290(2) 0.0437(8) Uani 1 1 d . A .
C14 C 0.4339(2) -0.01061(17) 0.5918(2) 0.0439(8) Uani 1 1 d . . .
H14 H 0.3834 -0.0217 0.5737 0.053 Uiso 1 1 calc R A .
C15 C 0.4944(3) -0.0490(2) 0.5813(3) 0.0596(11) Uani 1 1 d . A .
H15 H 0.4850 -0.0865 0.5570 0.072 Uiso 1 1 calc R . .
C16 C 0.5677(3) -0.0319(3) 0.6065(3) 0.0694(13) Uani 1 1 d . . .
H16 H 0.6082 -0.0584 0.6006 0.083 Uiso 1 1 calc R A .
C17 C 0.5829(3) 0.0226(3) 0.6400(3) 0.0747(14) Uani 1 1 d . A .
H17 H 0.6338 0.0341 0.6551 0.090 Uiso 1 1 calc R . .
C18 C 0.5241(2) 0.0610(2) 0.6520(3) 0.0621(11) Uani 1 1 d . . .
H18 H 0.5348 0.0986 0.6756 0.075 Uiso 1 1 calc R A .
C19 C 0.4076(4) 0.1357(3) 0.7294(4) 0.0403(16) Uiso 0.580(11) 1 d PD A 1
C20 C 0.4361(4) 0.1049(4) 0.7977(5) 0.065(2) Uiso 0.580(11) 1 d PD A 1
H20 H 0.4405 0.0630 0.7966 0.079 Uiso 0.580(11) 1 calc PR A 1
C21 C 0.4582(6) 0.1361(5) 0.8680(6) 0.098(4) Uiso 0.580(11) 1 d PD A 1
H21 H 0.4788 0.1173 0.9152 0.118 Uiso 0.580(11) 1 calc PR A 1
C22 C 0.4472(8) 0.1969(6) 0.8618(8) 0.106(5) Uiso 0.580(11) 1 d PD A 1
H22 H 0.4594 0.2179 0.9096 0.127 Uiso 0.580(11) 1 calc PR A 1
C23 C 0.4229(8) 0.2306(5) 0.8016(7) 0.094(4) Uiso 0.580(11) 1 d PD A 1
H23 H 0.4205 0.2725 0.8045 0.113 Uiso 0.580(11) 1 calc PR A 1
C24 C 0.3999(5) 0.1973(4) 0.7299(5) 0.063(2) Uiso 0.580(11) 1 d PD A 1
H24 H 0.3798 0.2175 0.6836 0.075 Uiso 0.580(11) 1 calc PR A 1
C19F C 0.3943(6) 0.1549(5) 0.7061(6) 0.049(3) Uiso 0.420(11) 1 d PD A 2
C20F C 0.4298(8) 0.1390(7) 0.7795(8) 0.092(5) Uiso 0.420(11) 1 d PD A 2
H20F H 0.4479 0.0994 0.7853 0.110 Uiso 0.420(11) 1 calc PR A 2
C21F C 0.4419(13) 0.1769(10) 0.8479(12) 0.169(13) Uiso 0.420(11) 1 d PD A 2
H21F H 0.4662 0.1654 0.8977 0.203 Uiso 0.420(11) 1 calc PR A 2
C22F C 0.4128(12) 0.2320(9) 0.8297(11) 0.114(7) Uiso 0.420(11) 1 d PD A 2
H22F H 0.4151 0.2588 0.8727 0.136 Uiso 0.420(11) 1 calc PR A 2
C23F C 0.3821(10) 0.2538(7) 0.7623(9) 0.111(6) Uiso 0.420(11) 1 d PD A 2
H23F H 0.3702 0.2947 0.7571 0.133 Uiso 0.420(11) 1 calc PR A 2
C24F C 0.3667(8) 0.2134(5) 0.6957(8) 0.081(4) Uiso 0.420(11) 1 d PD A 2
H24F H 0.3395 0.2259 0.6477 0.097 Uiso 0.420(11) 1 calc PR A 2
C25 C 0.2733(2) 0.02371(15) 0.7194(2) 0.0383(7) Uani 1 1 d . . .
C26 C 0.26588(18) -0.03750(15) 0.70905(19) 0.0349(7) Uani 1 1 d . A .
H26 H 0.2728 -0.0547 0.6596 0.042 Uiso 1 1 calc R . .
C27 C 0.2482(2) -0.07370(15) 0.7715(2) 0.0397(7) Uani 1 1 d . . .
C28 C 0.2366(3) -0.04772(19) 0.8437(2) 0.0726(15) Uani 1 1 d . A .
H28 H 0.2247 -0.0718 0.8862 0.087 Uiso 1 1 calc R . .
C29 C 0.2425(4) 0.0136(2) 0.8531(3) 0.101(2) Uani 1 1 d . . .
H29 H 0.2336 0.0311 0.9018 0.121 Uiso 1 1 calc R A .
C30 C 0.2615(3) 0.04969(19) 0.7914(2) 0.0724(15) Uani 1 1 d . A .
H30 H 0.2664 0.0913 0.7985 0.087 Uiso 1 1 calc R . .
C31 C 0.0864(2) -0.16893(18) 0.7359(2) 0.0472(9) Uani 1 1 d . . .
C32 C 0.0504(3) -0.1150(3) 0.7482(4) 0.0910(18) Uani 1 1 d . . .
H32 H 0.0732 -0.0872 0.7851 0.109 Uiso 1 1 calc R . .
C33 C -0.0202(4) -0.1026(3) 0.7051(5) 0.114(2) Uani 1 1 d . . .
H33 H -0.0447 -0.0660 0.7132 0.137 Uiso 1 1 calc R . .
C34 C -0.0537(3) -0.1424(3) 0.6519(4) 0.0891(19) Uani 1 1 d . . .
H34 H -0.1014 -0.1338 0.6237 0.107 Uiso 1 1 calc R . .
C35 C -0.0181(3) -0.1944(3) 0.6398(3) 0.0810(16) Uani 1 1 d . . .
H35 H -0.0411 -0.2217 0.6024 0.097 Uiso 1 1 calc R . .
C36 C 0.0518(3) -0.2084(2) 0.6814(3) 0.0635(11) Uani 1 1 d . . .
H36 H 0.0755 -0.2451 0.6723 0.076 Uiso 1 1 calc R . .
C37 C 0.1686(2) -0.18020(17) 0.8945(2) 0.0478(9) Uani 1 1 d . . .
C38 C 0.2353(3) -0.1825(2) 0.9465(2) 0.0612(12) Uani 1 1 d . . .
H38 H 0.2830 -0.1867 0.9268 0.073 Uiso 1 1 calc R . .
C39 C 0.2311(4) -0.1787(2) 1.0276(2) 0.0718(14) Uani 1 1 d . . .
H39 H 0.2761 -0.1799 1.0630 0.086 Uiso 1 1 calc R . .
C40 C 0.1625(4) -0.1732(3) 1.0562(3) 0.0856(18) Uani 1 1 d . . .
H40 H 0.1603 -0.1685 1.1112 0.103 Uiso 1 1 calc R . .
C41 C 0.0975(4) -0.1743(4) 1.0066(4) 0.109(2) Uani 1 1 d . . .
H41 H 0.0501 -0.1732 1.0275 0.131 Uiso 1 1 calc R . .
C42 C 0.0995(3) -0.1770(3) 0.9235(3) 0.0801(16) Uani 1 1 d . . .
H42 H 0.0540 -0.1766 0.8890 0.096 Uiso 1 1 calc R . .
C43 C 0.30754(19) -0.17517(15) 0.62236(19) 0.0354(7) Uani 1 1 d . . .
C44 C 0.2399(2) -0.16169(17) 0.5764(2) 0.0445(8) Uani 1 1 d . . .
H44 H 0.1952 -0.1550 0.6011 0.053 Uiso 1 1 calc R . .
C45 C 0.2374(3) -0.15802(18) 0.4950(2) 0.0521(9) Uani 1 1 d . . .
H45 H 0.1909 -0.1499 0.4640 0.063 Uiso 1 1 calc R . .
C46 C 0.3030(3) -0.1663(2) 0.4592(2) 0.0616(12) Uani 1 1 d . . .
H46 H 0.3018 -0.1625 0.4037 0.074 Uiso 1 1 calc R . .
C47 C 0.3693(3) -0.1799(3) 0.5033(3) 0.0769(16) Uani 1 1 d . . .
H47 H 0.4138 -0.1862 0.4782 0.092 Uiso 1 1 calc R . .
C48 C 0.3723(2) -0.1846(2) 0.5849(2) 0.0598(11) Uani 1 1 d . . .
H48 H 0.4186 -0.1944 0.6150 0.072 Uiso 1 1 calc R . .
C49 C 0.4003(2) -0.16899(17) 0.7764(2) 0.0442(8) Uani 1 1 d . . .
C50 C 0.4331(3) -0.2048(2) 0.8369(3) 0.0629(12) Uani 1 1 d . . .
H50 H 0.4089 -0.2402 0.8506 0.076 Uiso 1 1 calc R . .
C51 C 0.5027(4) -0.1877(3) 0.8776(4) 0.0954(19) Uani 1 1 d . . .
H51 H 0.5249 -0.2114 0.9199 0.114 Uiso 1 1 calc R . .
C52 C 0.5395(3) -0.1365(3) 0.8566(4) 0.0923(19) Uani 1 1 d . . .
H52 H 0.5867 -0.1254 0.8841 0.111 Uiso 1 1 calc R . .
C53 C 0.5071(3) -0.1021(3) 0.7958(3) 0.0772(14) Uani 1 1 d . . .
H53 H 0.5322 -0.0672 0.7814 0.093 Uiso 1 1 calc R . .
C54 C 0.4380(2) -0.1177(2) 0.7549(3) 0.0553(10) Uani 1 1 d . . .
H54 H 0.4163 -0.0938 0.7127 0.066 Uiso 1 1 calc R . .
Cl5 Cl 0.1904(6) -0.0082(3) 0.0799(5) 0.479(6) Uani 1 1 d D . .
Cl6 Cl 0.2413(2) 0.03944(18) 0.23257(19) 0.1992(14) Uani 1 1 d D . .
C55 C 0.2323(10) -0.0246(4) 0.1743(6) 0.240(8) Uani 1 1 d D . .
H55A H 0.2829 -0.0422 0.1710 0.288 Uiso 1 1 calc R . .
H55B H 0.2010 -0.0541 0.1989 0.288 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
Pd Pd -0.9988 1.0072 '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'
P P 0.1023 0.0942 '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'
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'
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
P1 Pd1 P2 72.55(4) . . ?
P1 Pd1 Cl2 165.57(5) . . ?
P2 Pd1 Cl2 93.47(4) . . ?
P1 Pd1 Cl1 98.86(4) . . ?
P2 Pd1 Cl1 170.14(4) . . ?
Cl2 Pd1 Cl1 95.36(5) . . ?
P3 Pd2 P4 72.38(3) . . ?
P3 Pd2 Cl4 167.13(4) . . ?
P4 Pd2 Cl4 96.06(4) . . ?
P3 Pd2 Cl3 96.02(4) . . ?
P4 Pd2 Cl3 167.16(4) . . ?
Cl4 Pd2 Cl3 95.99(4) . . ?
N1 P1 C1 110.24(15) . . ?
N1 P1 C7 109.44(16) . . ?
C1 P1 C7 107.01(18) . . ?
N1 P1 Pd1 93.50(10) . . ?
C1 P1 Pd1 121.35(12) . . ?
C7 P1 Pd1 114.24(13) . . ?
N1 P1 P2 39.98(9) . . ?
C1 P1 P2 131.80(12) . . ?
C7 P1 P2 118.05(14) . . ?
Pd1 P1 P2 53.81(3) . . ?
N1 P2 C19F 111.3(3) . . ?
N1 P2 C13 110.69(16) . . ?
C19F P2 C13 115.9(4) . . ?
N1 P2 C19 107.3(2) . . ?
C19F P2 C19 19.5(3) . . ?
C13 P2 C19 101.7(3) . . ?
N1 P2 Pd1 93.16(10) . . ?
C19F P2 Pd1 107.3(4) . . ?
C13 P2 Pd1 116.26(12) . . ?
C19 P2 Pd1 126.8(2) . . ?
N1 P2 P1 39.81(10) . . ?
C19F P2 P1 114.8(4) . . ?
C13 P2 P1 128.61(13) . . ?
C19 P2 P1 124.6(2) . . ?
Pd1 P2 P1 53.64(3) . . ?
N2 P3 C31 108.24(16) . . ?
N2 P3 C37 109.69(16) . . ?
C31 P3 C37 108.21(19) . . ?
N2 P3 Pd2 94.22(10) . . ?
C31 P3 Pd2 121.11(14) . . ?
C37 P3 Pd2 114.04(13) . . ?
N2 P3 P4 40.44(10) . . ?
C31 P3 P4 124.69(12) . . ?
C37 P3 P4 123.95(15) . . ?
Pd2 P3 P4 53.81(3) . . ?
N2 P4 C49 107.95(16) . . ?
N2 P4 C43 108.69(14) . . ?
C49 P4 C43 108.89(17) . . ?
N2 P4 Pd2 93.76(10) . . ?
C49 P4 Pd2 122.62(13) . . ?
C43 P4 Pd2 113.11(11) . . ?
N2 P4 P3 39.99(10) . . ?
C49 P4 P3 127.98(13) . . ?
C43 P4 P3 119.35(12) . . ?
Pd2 P4 P3 53.81(3) . . ?
C25 N1 P1 128.9(2) . . ?
C25 N1 P2 130.2(2) . . ?
P1 N1 P2 100.21(15) . . ?
C27 N2 P3 131.0(2) . . ?
C27 N2 P4 129.2(2) . . ?
P3 N2 P4 99.57(15) . . ?
C6 C1 C2 119.5(4) . . ?
C6 C1 P1 119.2(3) . . ?
C2 C1 P1 121.3(3) . . ?
C3 C2 C1 119.7(4) . . ?
C4 C3 C2 120.0(4) . . ?
C5 C4 C3 121.2(4) . . ?
C4 C5 C6 120.0(4) . . ?
C1 C6 C5 119.7(4) . . ?
C8 C7 C12 119.0(4) . . ?
C8 C7 P1 120.8(3) . . ?
C12 C7 P1 119.5(3) . . ?
C9 C8 C7 119.7(5) . . ?
C10 C9 C8 120.6(5) . . ?
C9 C10 C11 121.2(5) . . ?
C10 C11 C12 119.3(6) . . ?
C11 C12 C7 120.2(5) . . ?
C14 C13 C18 119.4(4) . . ?
C14 C13 P2 120.8(3) . . ?
C18 C13 P2 119.3(3) . . ?
C13 C14 C15 119.4(4) . . ?
C16 C15 C14 119.7(4) . . ?
C17 C16 C15 121.3(4) . . ?
C16 C17 C18 120.2(5) . . ?
C17 C18 C13 119.9(5) . . ?
C24 C19 C20 120.9(7) . . ?
C24 C19 P2 117.1(6) . . ?
C20 C19 P2 121.9(5) . . ?
C19 C20 C21 120.2(8) . . ?
C22 C21 C20 113.8(11) . . ?
C23 C22 C21 131.6(14) . . ?
C22 C23 C24 113.5(12) . . ?
C19 C24 C23 119.9(8) . . ?
C20F C19F C24F 118.2(10) . . ?
C20F C19F P2 116.7(9) . . ?
C24F C19F P2 124.2(9) . . ?
C19F C20F C21F 126.2(14) . . ?
C22F C21F C20F 109.5(17) . . ?
C23F C22F C21F 130.4(18) . . ?
C22F C23F C24F 118.3(15) . . ?
C19F C24F C23F 116.8(12) . . ?
C26 C25 C30 120.3(3) . . ?
C26 C25 N1 119.6(3) . . ?
C30 C25 N1 120.1(3) . . ?
C25 C26 C27 120.3(3) . . ?
C28 C27 C26 119.4(3) . . ?
C28 C27 N2 119.8(3) . . ?
C26 C27 N2 120.7(3) . . ?
C29 C28 C27 120.0(4) . . ?
C28 C29 C30 120.7(4) . . ?
C25 C30 C29 119.3(4) . . ?
C36 C31 C32 118.8(4) . . ?
C36 C31 P3 120.0(3) . . ?
C32 C31 P3 121.2(4) . . ?
C31 C32 C33 119.3(6) . . ?
C34 C33 C32 121.0(6) . . ?
C35 C34 C33 119.5(5) . . ?
C34 C35 C36 121.3(6) . . ?
C31 C36 C35 120.2(5) . . ?
C42 C37 C38 119.9(4) . . ?
C42 C37 P3 122.1(3) . . ?
C38 C37 P3 117.9(3) . . ?
C39 C38 C37 119.6(5) . . ?
C40 C39 C38 120.3(5) . . ?
C41 C40 C39 120.4(5) . . ?
C40 C41 C42 120.8(6) . . ?
C37 C42 C41 118.7(5) . . ?
C48 C43 C44 118.6(3) . . ?
C48 C43 P4 121.7(3) . . ?
C44 C43 P4 119.5(3) . . ?
C45 C44 C43 120.7(4) . . ?
C46 C45 C44 119.7(4) . . ?
C47 C46 C45 120.2(4) . . ?
C46 C47 C48 120.6(4) . . ?
C43 C48 C47 120.2(4) . . ?
C50 C49 C54 119.9(4) . . ?
C50 C49 P4 120.4(3) . . ?
C54 C49 P4 119.6(3) . . ?
C49 C50 C51 119.1(5) . . ?
C52 C51 C50 120.7(5) . . ?
C53 C52 C51 119.5(5) . . ?
C52 C53 C54 120.9(5) . . ?
C53 C54 C49 119.8(4) . . ?
Cl5 C55 Cl6 110.8(6) . . ?
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 P1 2.2056(9) . ?
Pd1 P2 2.2103(11) . ?
Pd1 Cl2 2.3333(10) . ?
Pd1 Cl1 2.3515(14) . ?
Pd2 P3 2.2102(10) . ?
Pd2 P4 2.2104(9) . ?
Pd2 Cl4 2.3504(10) . ?
Pd2 Cl3 2.3637(10) . ?
P1 N1 1.700(3) . ?
P1 C1 1.792(4) . ?
P1 C7 1.804(4) . ?
P1 P2 2.6128(13) . ?
P2 N1 1.706(3) . ?
P2 C19F 1.752(9) . ?
P2 C13 1.786(4) . ?
P2 C19 1.825(6) . ?
P3 N2 1.701(3) . ?
P3 C31 1.794(4) . ?
P3 C37 1.810(4) . ?
P3 P4 2.6102(13) . ?
P4 N2 1.717(3) . ?
P4 C49 1.796(4) . ?
P4 C43 1.803(3) . ?
N1 C25 1.452(4) . ?
N2 C27 1.433(4) . ?
C1 C6 1.389(5) . ?
C1 C2 1.395(5) . ?
C2 C3 1.388(6) . ?
C3 C4 1.375(7) . ?
C4 C5 1.353(7) . ?
C5 C6 1.402(6) . ?
C7 C8 1.393(6) . ?
C7 C12 1.408(6) . ?
C8 C9 1.388(7) . ?
C9 C10 1.364(9) . ?
C10 C11 1.380(9) . ?
C11 C12 1.388(7) . ?
C13 C14 1.389(5) . ?
C13 C18 1.394(5) . ?
C14 C15 1.394(5) . ?
C15 C16 1.368(7) . ?
C16 C17 1.356(8) . ?
C17 C18 1.376(7) . ?
C19 C24 1.382(9) . ?
C19 C20 1.392(10) . ?
C20 C21 1.398(11) . ?
C21 C22 1.372(15) . ?
C22 C23 1.302(14) . ?
C23 C24 1.443(12) . ?
C19F C20F 1.377(13) . ?
C19F C24F 1.399(13) . ?
C20F C21F 1.431(15) . ?
C21F C22F 1.355(17) . ?
C22F C23F 1.305(16) . ?
C23F C24F 1.446(14) . ?
C25 C26 1.383(5) . ?
C25 C30 1.386(5) . ?
C26 C27 1.392(5) . ?
C27 C28 1.386(5) . ?
C28 C29 1.382(6) . ?
C29 C30 1.386(6) . ?
C31 C36 1.371(6) . ?
C31 C32 1.385(7) . ?
C32 C33 1.401(8) . ?
C33 C34 1.355(9) . ?
C34 C35 1.345(9) . ?
C35 C36 1.387(7) . ?
C37 C42 1.361(6) . ?
C37 C38 1.392(6) . ?
C38 C39 1.385(6) . ?
C39 C40 1.352(8) . ?
C40 C41 1.346(9) . ?
C41 C42 1.411(7) . ?
C43 C48 1.377(5) . ?
C43 C44 1.384(5) . ?
C44 C45 1.376(5) . ?
C45 C46 1.372(6) . ?
C46 C47 1.351(7) . ?
C47 C48 1.380(6) . ?
C49 C50 1.376(5) . ?
C49 C54 1.390(6) . ?
C50 C51 1.392(7) . ?
C51 C52 1.381(9) . ?
C52 C53 1.360(8) . ?
C53 C54 1.379(6) . ?
Cl5 C55 1.726(10) . ?
Cl6 C55 1.736(9) . ?
