#------------------------------------------------------------------------------
#$Date: 2016-02-05 01:50:43 +0200 (Fri, 05 Feb 2016) $
#$Revision: 176063 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/74/7037446.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_7037446
loop_
_publ_author_name
'Adam, Mohamed Shaker S.'
'Kindermann, Markus K.'
'Jones, Peter G.'
'Heinicke, Joachim W.'
_publ_section_title
;
 3H-1,3-Azaphospholo[4,5-b]pyridines - novel heterocyclic P,N-bridging or
 hybrid ligands: synthesis and first d(8)-transition metal complexes.
;
_journal_issue                   5
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2261
_journal_page_last               2272
_journal_paper_doi               10.1039/c5dt04073f
_journal_volume                  45
_journal_year                    2016
_chemical_formula_sum            'C46 H78 Cl4 N4 O4.5 P2 Pd2'
_chemical_formula_weight         1175.66
_chemical_name_systematic
;
 ?
;
_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
_audit_update_record
;
2015-09-08 deposited with the CCDC.
2015-11-24 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.891(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   27.727(3)
_cell_length_b                   16.625(2)
_cell_length_c                   23.302(3)
_cell_measurement_reflns_used    9734
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.47
_cell_measurement_theta_min      2.25
_cell_volume                     10740(2)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Siemens XP'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type  'Bruker APEX2 CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0490
_diffrn_reflns_av_sigmaI/netI    0.0369
_diffrn_reflns_limit_h_max       38
_diffrn_reflns_limit_h_min       -39
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            153859
_diffrn_reflns_theta_full        30.00
_diffrn_reflns_theta_max         30.03
_diffrn_reflns_theta_min         2.27
_exptl_absorpt_coefficient_mu    0.972
_exptl_absorpt_correction_T_max  0.8679
_exptl_absorpt_correction_T_min  0.7322
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.454
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             4864
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.331
_refine_diff_density_min         -0.684
_refine_diff_density_rms         0.124
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.179
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     585
_refine_ls_number_reflns         15352
_refine_ls_number_restraints     511
_refine_ls_restrained_S_all      1.185
_refine_ls_R_factor_all          0.0782
_refine_ls_R_factor_gt           0.0409
_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)+(0.0185P)²+64.0719P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0803
_refine_ls_wR_factor_ref         0.0982
_reflns_number_gt                11085
_reflns_number_total             15352
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5dt04073f3.cif
_cod_data_source_block           gstaab
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 7037445--7037448.cif.
;
_cod_original_cell_volume        10739(2)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C46 H78 Cl4 N4 O4.50 P2 Pd2'
_cod_database_code               7037446
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Pd1 Pd 0.534739(9) 0.634164(15) 0.418459(10) 0.01537(6) Uani 1 1 d . . .
Pd2 Pd 0.556095(9) 0.870272(15) 0.439133(10) 0.01585(6) Uani 1 1 d . . .
Cl1 Cl 0.54591(3) 0.61348(6) 0.32318(3) 0.02817(19) Uani 1 1 d . . .
Cl2 Cl 0.59454(3) 0.54028(5) 0.44263(3) 0.02124(16) Uani 1 1 d . . .
Cl3 Cl 0.63030(3) 0.89847(6) 0.40453(4) 0.02860(19) Uani 1 1 d . . .
Cl4 Cl 0.51990(3) 0.96176(5) 0.37582(3) 0.02129(16) Uani 1 1 d . . .
N1 N 0.39032(10) 0.70726(17) 0.44820(12) 0.0203(6) Uani 1 1 d . . .
C2 C 0.41345(12) 0.67361(19) 0.40738(14) 0.0183(6) Uani 1 1 d . . .
P3 P 0.47425(3) 0.71797(5) 0.39532(3) 0.01533(15) Uani 1 1 d . . .
C3A C 0.46124(11) 0.78913(18) 0.45166(13) 0.0159(6) Uani 1 1 d . . .
N4 N 0.49019(10) 0.84719(15) 0.47295(11) 0.0154(5) Uani 1 1 d . . .
C5 C 0.47392(12) 0.89071(19) 0.51780(13) 0.0190(6) Uani 1 1 d . . .
H5 H 0.4939 0.9319 0.5335 0.023 Uiso 1 1 calc R . .
C6 C 0.42878(12) 0.8772(2) 0.54177(14) 0.0196(6) Uani 1 1 d . . .
H6 H 0.4180 0.9100 0.5724 0.024 Uiso 1 1 calc R . .
C7 C 0.39982(13) 0.8159(2) 0.52081(14) 0.0221(7) Uani 1 1 d . . .
H7 H 0.3695 0.8045 0.5375 0.026 Uiso 1 1 calc R . .
C7A C 0.41636(12) 0.77151(19) 0.47460(13) 0.0180(6) Uani 1 1 d . . .
C8 C 0.39358(12) 0.6016(2) 0.37515(14) 0.0212(7) Uani 1 1 d . . .
C9 C 0.40706(15) 0.6047(2) 0.31169(14) 0.0286(8) Uani 1 1 d . . .
H9A H 0.3938 0.5575 0.2918 0.043 Uiso 1 1 calc R . .
H9B H 0.4423 0.6048 0.3084 0.043 Uiso 1 1 calc R . .
H9C H 0.3938 0.6537 0.2942 0.043 Uiso 1 1 calc R . .
C10 C 0.41618(16) 0.5260(2) 0.40210(17) 0.0329(9) Uani 1 1 d . . .
H10A H 0.4040 0.4781 0.3820 0.049 Uiso 1 1 calc R . .
H10B H 0.4076 0.5230 0.4427 0.049 Uiso 1 1 calc R . .
H10C H 0.4513 0.5285 0.3988 0.049 Uiso 1 1 calc R . .
C11 C 0.33885(14) 0.5990(3) 0.38049(18) 0.0376(10) Uani 1 1 d . . .
H11A H 0.3261 0.5524 0.3595 0.056 Uiso 1 1 calc R . .
H11B H 0.3249 0.6484 0.3643 0.056 Uiso 1 1 calc R . .
H11C H 0.3304 0.5947 0.4211 0.056 Uiso 1 1 calc R . .
C12 C 0.47181(12) 0.7734(2) 0.32795(13) 0.0189(6) Uani 1 1 d . . .
H12A H 0.5006 0.8085 0.3258 0.023 Uiso 1 1 calc R . .
H12B H 0.4732 0.7347 0.2957 0.023 Uiso 1 1 calc R . .
C13 C 0.42671(12) 0.8248(2) 0.32073(14) 0.0205(7) Uani 1 1 d . . .
H13A H 0.4273 0.8683 0.3497 0.025 Uiso 1 1 calc R . .
H13B H 0.3978 0.7912 0.3274 0.025 Uiso 1 1 calc R . .
C14 C 0.42322(14) 0.8617(2) 0.26079(14) 0.0259(7) Uani 1 1 d . . .
H14A H 0.4527 0.8937 0.2537 0.031 Uiso 1 1 calc R . .
H14B H 0.4216 0.8181 0.2319 0.031 Uiso 1 1 calc R . .
C15 C 0.37937(15) 0.9153(2) 0.25353(16) 0.0318(9) Uani 1 1 d . . .
H15A H 0.3786 0.9378 0.2146 0.048 Uiso 1 1 calc R . .
H15B H 0.3811 0.9592 0.2816 0.048 Uiso 1 1 calc R . .
H15C H 0.3501 0.8837 0.2597 0.048 Uiso 1 1 calc R . .
N1' N 0.57271(10) 0.79400(17) 0.61239(11) 0.0193(6) Uani 1 1 d . . .
C2' C 0.59967(12) 0.82757(19) 0.57482(14) 0.0183(6) Uani 1 1 d . . .
P3' P 0.59118(3) 0.78486(5) 0.50128(3) 0.01521(15) Uani 1 1 d . . .
C3A' C 0.54942(11) 0.71346(18) 0.53161(13) 0.0149(6) Uani 1 1 d . . .
N4' N 0.52441(9) 0.65551(15) 0.50394(11) 0.0149(5) Uani 1 1 d . . .
C5' C 0.49372(12) 0.61116(19) 0.53487(14) 0.0187(6) Uani 1 1 d . . .
H5' H 0.4761 0.5695 0.5161 0.022 Uiso 1 1 calc R . .
C6' C 0.48663(12) 0.6238(2) 0.59361(13) 0.0194(6) Uani 1 1 d . . .
H6' H 0.4647 0.5910 0.6141 0.023 Uiso 1 1 calc R . .
C7' C 0.51202(12) 0.6849(2) 0.62170(14) 0.0200(7) Uani 1 1 d . . .
H7' H 0.5076 0.6953 0.6614 0.024 Uiso 1 1 calc R . .
C7A' C 0.54397(11) 0.73010(19) 0.58959(13) 0.0167(6) Uani 1 1 d . . .
C8' C 0.63180(12) 0.8987(2) 0.58930(14) 0.0203(6) Uani 1 1 d . . .
C9' C 0.67859(13) 0.8963(2) 0.55496(16) 0.0287(8) Uani 1 1 d . . .
H9'1 H 0.6986 0.9428 0.5652 0.043 Uiso 1 1 calc R . .
H9'2 H 0.6708 0.8979 0.5138 0.043 Uiso 1 1 calc R . .
H9'3 H 0.6962 0.8466 0.5639 0.043 Uiso 1 1 calc R . .
C10' C 0.60379(15) 0.9754(2) 0.57398(18) 0.0321(9) Uani 1 1 d . . .
H10D H 0.6237 1.0225 0.5831 0.048 Uiso 1 1 calc R . .
H10E H 0.5741 0.9775 0.5962 0.048 Uiso 1 1 calc R . .
H10F H 0.5957 0.9752 0.5329 0.048 Uiso 1 1 calc R . .
C11' C 0.64465(14) 0.8973(2) 0.65306(15) 0.0280(8) Uani 1 1 d . . .
H11D H 0.6654 0.9433 0.6625 0.042 Uiso 1 1 calc R . .
H11E H 0.6618 0.8472 0.6623 0.042 Uiso 1 1 calc R . .
H11F H 0.6151 0.9003 0.6754 0.042 Uiso 1 1 calc R . .
C12' C 0.64505(12) 0.7286(2) 0.48358(14) 0.0202(6) Uani 1 1 d . . .
H12C H 0.6376 0.6924 0.4508 0.024 Uiso 1 1 calc R . .
H12D H 0.6703 0.7666 0.4712 0.024 Uiso 1 1 calc R . .
C13' C 0.66483(12) 0.6783(2) 0.53361(15) 0.0229(7) Uani 1 1 d . . .
H13C H 0.6694 0.7132 0.5677 0.028 Uiso 1 1 calc R . .
H13D H 0.6411 0.6362 0.5434 0.028 Uiso 1 1 calc R . .
C14' C 0.71229(14) 0.6391(2) 0.51907(17) 0.0321(8) Uani 1 1 d . . .
H14C H 0.7071 0.6017 0.4865 0.038 Uiso 1 1 calc R . .
H14D H 0.7352 0.6811 0.5067 0.038 Uiso 1 1 calc R . .
C15' C 0.73420(15) 0.5934(3) 0.5688(2) 0.0415(11) Uani 1 1 d . . .
H15D H 0.7647 0.5690 0.5571 0.062 Uiso 1 1 calc R . .
H15E H 0.7119 0.5510 0.5808 0.062 Uiso 1 1 calc R . .
H15F H 0.7402 0.6303 0.6009 0.062 Uiso 1 1 calc R . .
O111 O 0.5000 0.7711(2) 0.7500 0.0251(7) Uani 1 2 d SU . .
C112 C 0.54131(13) 0.8213(2) 0.76048(16) 0.0272(8) Uani 1 1 d U . .
H11G H 0.5689 0.8029 0.7374 0.033 Uiso 1 1 calc R . .
H11H H 0.5509 0.8196 0.8016 0.033 Uiso 1 1 calc R . .
C113 C 0.52658(13) 0.9056(2) 0.74321(17) 0.0296(8) Uani 1 1 d U . .
H11I H 0.5443 0.9466 0.7660 0.036 Uiso 1 1 calc R . .
H11J H 0.5319 0.9153 0.7019 0.036 Uiso 1 1 calc R . .
O121 O 0.68883(12) 1.1734(2) 0.39690(14) 0.0471(8) Uani 1 1 d DU . .
C122 C 0.70500(15) 1.0918(3) 0.40063(17) 0.0357(9) Uani 1 1 d DU . .
H12E H 0.6832 1.0602 0.4252 0.043 Uiso 1 1 calc R . .
H12F H 0.7379 1.0896 0.4176 0.043 Uiso 1 1 calc R . .
C123 C 0.70492(14) 1.0580(3) 0.34094(17) 0.0363(9) Uani 1 1 d DU . .
H12G H 0.6986 0.9994 0.3407 0.044 Uiso 1 1 calc R . .
H12H H 0.7355 1.0692 0.3212 0.044 Uiso 1 1 calc R . .
C124 C 0.66244(19) 1.1059(3) 0.3145(2) 0.0517(12) Uani 1 1 d DU . .
H12I H 0.6646 1.1088 0.2722 0.062 Uiso 1 1 calc R . .
H12J H 0.6310 1.0821 0.3249 0.062 Uiso 1 1 calc R . .
C125 C 0.6695(2) 1.1868(3) 0.3416(2) 0.0531(13) Uani 1 1 d DU . .
H12K H 0.6920 1.2197 0.3187 0.064 Uiso 1 1 calc R . .
H12L H 0.6384 1.2156 0.3439 0.064 Uiso 1 1 calc R . .
O131 O 0.59785(13) 0.6287(2) 0.70218(16) 0.0610(10) Uani 1 1 d DU . .
C132 C 0.64589(17) 0.6539(3) 0.7130(2) 0.0479(12) Uani 1 1 d DU . .
H13E H 0.6467 0.7108 0.7255 0.057 Uiso 1 1 calc R . .
H13F H 0.6655 0.6482 0.6781 0.057 Uiso 1 1 calc R . .
C133 C 0.66434(18) 0.5997(3) 0.7598(2) 0.0533(13) Uani 1 1 d DU . .
H13G H 0.6909 0.6253 0.7820 0.064 Uiso 1 1 calc R . .
H13H H 0.6756 0.5477 0.7442 0.064 Uiso 1 1 calc R . .
C134 C 0.61967(19) 0.5889(3) 0.7962(2) 0.0601(14) Uani 1 1 d DU . .
H13I H 0.6185 0.5340 0.8126 0.072 Uiso 1 1 calc R . .
H13J H 0.6193 0.6285 0.8279 0.072 Uiso 1 1 calc R . .
C135 C 0.57810(19) 0.6027(3) 0.7553(2) 0.0548(13) Uani 1 1 d DU . .
H13K H 0.5596 0.5523 0.7496 0.066 Uiso 1 1 calc R . .
H13L H 0.5562 0.6442 0.7706 0.066 Uiso 1 1 calc R . .
O141 O 0.73993(16) 1.0706(2) 0.6213(2) 0.0780(13) Uani 1 1 d DU . .
C142 C 0.71559(19) 1.1447(3) 0.6127(2) 0.0540(13) Uani 1 1 d DU . .
H14E H 0.7238 1.1829 0.6440 0.065 Uiso 1 1 calc R . .
H14F H 0.6802 1.1363 0.6120 0.065 Uiso 1 1 calc R . .
C143 C 0.7317(2) 1.1761(5) 0.5572(3) 0.085(2) Uani 1 1 d DU . .
H14G H 0.7332 1.2356 0.5574 0.102 Uiso 1 1 calc R . .
H14H H 0.7102 1.1582 0.5254 0.102 Uiso 1 1 calc R . .
C144 C 0.7817(3) 1.1397(5) 0.5521(3) 0.098(2) Uani 1 1 d DU . .
H14I H 0.7894 1.1294 0.5114 0.117 Uiso 1 1 calc R . .
H14J H 0.8065 1.1758 0.5689 0.117 Uiso 1 1 calc R . .
C145 C 0.7791(2) 1.0677(4) 0.5829(3) 0.088(2) Uani 1 1 d DU . .
H14K H 0.8096 1.0591 0.6047 0.105 Uiso 1 1 calc R . .
H14L H 0.7747 1.0221 0.5560 0.105 Uiso 1 1 calc R . .
O151 O 0.7489(2) 0.6769(3) 0.2729(3) 0.0668(19) Uani 0.652(6) 1 d PDU A 1
C152 C 0.7222(3) 0.6108(4) 0.2934(3) 0.0435(17) Uani 0.652(6) 1 d PDU A 1
H15G H 0.7442 0.5683 0.3081 0.052 Uiso 0.652(6) 1 calc PR A 1
H15H H 0.7018 0.5878 0.2622 0.052 Uiso 0.652(6) 1 calc PR A 1
C153 C 0.6916(3) 0.6425(4) 0.3404(4) 0.050(2) Uani 0.652(6) 1 d PDU A 1
H15I H 0.7097 0.6447 0.3774 0.060 Uiso 0.652(6) 1 calc PR A 1
H15J H 0.6622 0.6095 0.3452 0.060 Uiso 0.652(6) 1 calc PR A 1
C154 C 0.6794(3) 0.7262(5) 0.3187(4) 0.060(2) Uani 0.652(6) 1 d PDU A 1
H15K H 0.6479 0.7266 0.2981 0.071 Uiso 0.652(6) 1 calc PR A 1
H15L H 0.6784 0.7653 0.3507 0.071 Uiso 0.652(6) 1 calc PR A 1
C155 C 0.7201(4) 0.7449(5) 0.2787(5) 0.068(3) Uani 0.652(6) 1 d PDU A 1
H15M H 0.7068 0.7611 0.2407 0.082 Uiso 0.652(6) 1 calc PR A 1
H15N H 0.7396 0.7900 0.2942 0.082 Uiso 0.652(6) 1 calc PR A 1
O161 O 0.7404(5) 0.7117(9) 0.3523(6) 0.103(5) Uiso 0.348(6) 1 d PDU A 2
C162 C 0.7183(6) 0.6360(9) 0.3501(7) 0.059(4) Uiso 0.348(6) 1 d PDU A 2
H16A H 0.6998 0.6266 0.3855 0.071 Uiso 0.348(6) 1 calc PR A 2
H16B H 0.7430 0.5933 0.3470 0.071 Uiso 0.348(6) 1 calc PR A 2
C163 C 0.6860(6) 0.6340(9) 0.3000(8) 0.068(5) Uiso 0.348(6) 1 d PDU A 2
H16C H 0.6548 0.6088 0.3095 0.081 Uiso 0.348(6) 1 calc PR A 2
H16D H 0.7007 0.6038 0.2681 0.081 Uiso 0.348(6) 1 calc PR A 2
C164 C 0.6792(7) 0.7224(10) 0.2840(9) 0.079(5) Uiso 0.348(6) 1 d PDU A 2
H16E H 0.6790 0.7298 0.2419 0.094 Uiso 0.348(6) 1 calc PR A 2
H16F H 0.6487 0.7438 0.2996 0.094 Uiso 0.348(6) 1 calc PR A 2
C165 C 0.7214(7) 0.7621(10) 0.3110(9) 0.079(5) Uiso 0.348(6) 1 d PDU A 2
H16G H 0.7459 0.7736 0.2816 0.094 Uiso 0.348(6) 1 calc PR A 2
H16H H 0.7116 0.8136 0.3286 0.094 Uiso 0.348(6) 1 calc PR 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'
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'
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'
O O 0.0106 0.0060 '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
N4' Pd1 P3 90.62(8) . .
N4' Pd1 Cl1 178.70(8) . .
P3 Pd1 Cl1 88.39(3) . .
N4' Pd1 Cl2 89.47(8) . .
P3 Pd1 Cl2 176.55(3) . .
Cl1 Pd1 Cl2 91.57(3) . .
N4 Pd2 P3' 90.78(7) . .
N4 Pd2 Cl3 177.85(8) . .
P3' Pd2 Cl3 88.49(3) . .
N4 Pd2 Cl4 89.30(7) . .
P3' Pd2 Cl4 178.67(3) . .
Cl3 Pd2 Cl4 91.38(3) . .
C2 N1 C7A 113.0(3) . .
N1 C2 C8 122.0(3) . .
N1 C2 P3 113.7(2) . .
C8 C2 P3 124.1(2) . .
C3A P3 C12 106.86(15) . .
C3A P3 C2 87.61(15) . .
C12 P3 C2 107.96(15) . .
C3A P3 Pd1 112.92(10) . .
C12 P3 Pd1 122.68(11) . .
C2 P3 Pd1 113.13(11) . .
N4 C3A C7A 122.7(3) . .
N4 C3A P3 127.8(2) . .
C7A C3A P3 109.3(2) . .
C3A N4 C5 117.6(3) . .
C3A N4 Pd2 121.7(2) . .
C5 N4 Pd2 120.6(2) . .
N4 C5 C6 122.3(3) . .
C7 C6 C5 119.8(3) . .
C6 C7 C7A 117.9(3) . .
C7 C7A C3A 119.6(3) . .
C7 C7A N1 124.2(3) . .
C3A C7A N1 116.2(3) . .
C2 C8 C11 109.7(3) . .
C2 C8 C9 111.1(3) . .
C11 C8 C9 109.7(3) . .
C2 C8 C10 107.6(3) . .
C11 C8 C10 110.2(3) . .
C9 C8 C10 108.6(3) . .
C13 C12 P3 113.5(2) . .
C12 C13 C14 111.5(3) . .
C15 C14 C13 112.2(3) . .
C2' N1' C7A' 113.4(3) . .
N1' C2' C8' 122.2(3) . .
N1' C2' P3' 113.2(2) . .
C8' C2' P3' 124.5(2) . .
C3A' P3' C12' 106.51(15) . .
C3A' P3' C2' 87.90(14) . .
C12' P3' C2' 108.20(15) . .
C3A' P3' Pd2 113.22(10) . .
C12' P3' Pd2 122.04(11) . .
C2' P3' Pd2 113.56(11) . .
N4' C3A' C7A' 123.0(3) . .
N4' C3A' P3' 127.6(2) . .
C7A' C3A' P3' 109.2(2) . .
C5' N4' C3A' 117.5(3) . .
C5' N4' Pd1 121.7(2) . .
C3A' N4' Pd1 120.8(2) . .
N4' C5' C6' 122.7(3) . .
C7' C6' C5' 119.4(3) . .
C7A' C7' C6' 117.6(3) . .
C7' C7A' C3A' 119.7(3) . .
C7' C7A' N1' 124.0(3) . .
C3A' C7A' N1' 116.2(3) . .
C2' C8' C11' 109.5(3) . .
C2' C8' C10' 107.7(3) . .
C11' C8' C10' 110.5(3) . .
C2' C8' C9' 111.2(3) . .
C11' C8' C9' 108.8(3) . .
C10' C8' C9' 109.2(3) . .
C13' C12' P3' 113.3(2) . .
C14' C13' C12' 111.6(3) . .
C15' C14' C13' 112.8(3) . .
C112 O111 C112 108.9(4) . 2_656
O111 C112 C113 106.4(3) . .
C113 C113 C112 101.8(2) 2_656 .
C125 O121 C122 108.7(3) . .
O121 C122 C123 107.6(3) . .
C122 C123 C124 99.6(3) . .
C125 C124 C123 101.6(4) . .
O121 C125 C124 106.8(4) . .
C132 O131 C135 108.0(4) . .
O131 C132 C133 105.1(4) . .
C132 C133 C134 101.8(4) . .
C135 C134 C133 104.5(4) . .
O131 C135 C134 107.2(4) . .
C142 O141 C145 108.0(4) . .
O141 C142 C143 106.4(4) . .
C142 C143 C144 102.6(5) . .
C145 C144 C143 104.3(5) . .
C144 C145 O141 109.9(5) . .
C155 O151 C152 107.2(5) . .
O151 C152 C153 106.2(5) . .
C152 C153 C154 101.9(6) . .
C155 C154 C153 103.3(6) . .
O151 C155 C154 109.2(6) . .
C165 O161 C162 111.1(11) . .
O161 C162 C163 108.1(11) . .
C162 C163 C164 104.2(10) . .
C165 C164 C163 103.5(10) . .
O161 C165 C164 108.5(12) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pd1 N4' 2.048(3) .
Pd1 P3 2.2397(9) .
Pd1 Cl1 2.2725(9) .
Pd1 Cl2 2.3396(8) .
Pd2 N4 2.038(3) .
Pd2 P3' 2.2396(9) .
Pd2 Cl3 2.2704(9) .
Pd2 Cl4 2.3346(8) .
N1 C2 1.284(4) .
N1 C7A 1.424(4) .
C2 C8 1.513(5) .
C2 P3 1.865(3) .
P3 C3A 1.808(3) .
P3 C12 1.821(3) .
C3A N4 1.345(4) .
C3A C7A 1.393(4) .
N4 C5 1.354(4) .
C5 C6 1.397(4) .
C6 C7 1.381(5) .
C7 C7A 1.389(4) .
C8 C11 1.525(5) .
C8 C9 1.532(5) .
C8 C10 1.535(5) .
C12 C13 1.522(5) .
C13 C14 1.527(4) .
C14 C15 1.515(5) .
N1' C2' 1.287(4) .
N1' C7A' 1.426(4) .
C2' C8' 1.515(5) .
C2' P3' 1.866(3) .
P3' C3A' 1.810(3) .
P3' C12' 1.816(3) .
C3A' N4' 1.346(4) .
C3A' C7A' 1.390(4) .
N4' C5' 1.344(4) .
C5' C6' 1.402(4) .
C6' C7' 1.393(5) .
C7' C7A' 1.389(4) .
C8' C11' 1.523(5) .
C8' C10' 1.533(5) .
C8' C9' 1.535(5) .
C12' C13' 1.529(5) .
C13' C14' 1.512(5) .
C14' C15' 1.506(5) .
O111 C112 1.435(4) .
O111 C112 1.435(4) 2_656
C112 C113 1.513(5) .
C113 C113 1.512(7) 2_656
O121 C125 1.405(5) .
O121 C122 1.432(5) .
C122 C123 1.500(5) .
C123 C124 1.542(6) .
C124 C125 1.498(6) .
O131 C132 1.415(6) .
O131 C135 1.427(6) .
C132 C133 1.499(6) .
C133 C134 1.522(7) .
C134 C135 1.502(7) .
O141 C142 1.418(6) .
O141 C145 1.418(6) .
C142 C143 1.471(7) .
C143 C144 1.518(7) .
C144 C145 1.399(7) .
O151 C155 1.392(8) .
O151 C152 1.412(7) .
C152 C153 1.493(8) .
C153 C154 1.517(9) .
C154 C155 1.508(9) .
O161 C165 1.375(12) .
O161 C162 1.401(12) .
C162 C163 1.462(13) .
C163 C164 1.526(13) .
C164 C165 1.476(13) .
