#------------------------------------------------------------------------------
#$Date: 2016-03-21 15:06:22 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178737 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/48/4084840.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_4084840
loop_
_publ_author_name
'Fernández-Rodr\?íguez, Mar\?ía-José'
'Mart\?ínez-Viviente, Elo\?ísa'
'Vicente, José'
'Jones, Peter G.'
_publ_section_title
;
 Mono- and Dipalladated Derivatives of 2,5-Distyrylbenzene. Reactivity
 toward XyNC and Alkynes. Synthesis of Complexes with Indacenediide
 Ligands
;
_journal_issue                   11
_journal_name_full               Organometallics
_journal_page_first              2240
_journal_paper_doi               10.1021/om5010034
_journal_volume                  34
_journal_year                    2015
_chemical_formula_sum            'C80 H88 Cl10 N4 O8 Pd2'
_chemical_formula_weight         1800.84
_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                 108.661(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   14.9171(2)
_cell_length_b                   22.1678(3)
_cell_length_c                   13.1545(3)
_cell_measurement_reflns_used    101631
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.7455
_cell_measurement_theta_min      2.3291
_cell_volume                     4121.24(13)
_computing_cell_refinement
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.40 (release 27-04-2009 CrysAlis171 .NET)
(compiled Apr 27 2009,10:20:11)
;
_computing_data_collection
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.40 (release 27-04-2009 CrysAlis171 .NET)
(compiled Apr 27 2009,10:20:11)
;
_computing_data_reduction
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.40 (release 27-04-2009 CrysAlis171 .NET)
(compiled Apr 27 2009,10:20:11)
;
_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_detector_area_resol_mean 16.1419
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       ω-scans
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0303
_diffrn_reflns_av_sigmaI/netI    0.0212
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            203781
_diffrn_reflns_theta_full        30.03
_diffrn_reflns_theta_max         30.03
_diffrn_reflns_theta_min         2.34
_exptl_absorpt_coefficient_mu    0.816
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.91981
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.40 (release 27-04-2009 CrysAlis171 .NET)
(compiled Apr 27 2009,10:20:11)
;
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.451
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       tablet
_exptl_crystal_F_000             1844
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.794
_refine_diff_density_min         -1.563
_refine_diff_density_rms         0.082
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.085
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     510
_refine_ls_number_reflns         11989
_refine_ls_number_restraints     86
_refine_ls_restrained_S_all      1.086
_refine_ls_R_factor_all          0.0417
_refine_ls_R_factor_gt           0.0328
_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)+(0.0549P)²+1.6153P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0902
_refine_ls_wR_factor_ref         0.0929
_reflns_number_gt                9946
_reflns_number_total             11989
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om5010034_si_002.cif
_cod_data_source_block           asend
_cod_depositor_comments
;
The following automatic conversions were performed:

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

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 

 Adding full bibliography for 4084839--4084842.cif.
;
_cod_original_cell_volume        4121.24(12)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4084840
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
Pd Pd 0.215325(9) 0.466176(6) 0.109978(10) 0.01348(5) Uani 1 1 d . . .
C1 C 0.10677(12) 0.41280(8) 0.14757(13) 0.0146(3) Uani 1 1 d . . .
C2 C 0.14432(12) 0.37689(8) 0.07970(13) 0.0156(3) Uani 1 1 d . . .
C3 C 0.12531(12) 0.40814(8) -0.01996(13) 0.0146(3) Uani 1 1 d . . .
C4 C 0.05622(12) 0.45631(7) -0.02347(13) 0.0141(3) Uani 1 1 d . . .
C5 C 0.04380(12) 0.45888(7) 0.07979(13) 0.0141(3) Uani 1 1 d . . .
C6 C -0.01279(12) 0.50270(8) 0.10425(13) 0.0147(3) Uani 1 1 d . . .
H6 H -0.0214 0.5045 0.1727 0.018 Uiso 1 1 calc R . .
C7 C 0.14975(13) 0.38691(8) -0.11584(14) 0.0194(3) Uani 1 1 d . . .
H7A H 0.2093 0.3642 -0.0921 0.029 Uiso 1 1 calc R . .
H7B H 0.1569 0.4218 -0.1584 0.029 Uiso 1 1 calc R . .
H7C H 0.0991 0.3608 -0.1598 0.029 Uiso 1 1 calc R . .
N11 N 0.29326(10) 0.51384(7) 0.24482(11) 0.0157(3) Uani 1 1 d . . .
C12 C 0.36070(12) 0.55033(8) 0.23069(13) 0.0155(3) Uani 1 1 d . . .
C13 C 0.41986(13) 0.58396(8) 0.31511(14) 0.0177(3) Uani 1 1 d . . .
H13 H 0.4684 0.6080 0.3036 0.021 Uiso 1 1 calc R . .
C14 C 0.40877(13) 0.58269(8) 0.41596(14) 0.0187(3) Uani 1 1 d . . .
C15 C 0.33674(14) 0.54584(9) 0.42775(15) 0.0230(4) Uani 1 1 d . . .
H15 H 0.3250 0.5443 0.4945 0.028 Uiso 1 1 calc R . .
C16 C 0.28260(14) 0.51166(9) 0.34229(14) 0.0210(4) Uani 1 1 d . . .
H16 H 0.2359 0.4856 0.3529 0.025 Uiso 1 1 calc R . .
C17 C 0.46825(14) 0.62064(9) 0.51027(14) 0.0208(4) Uani 1 1 d . . .
C18 C 0.40393(17) 0.66954(10) 0.53131(18) 0.0312(5) Uani 1 1 d . . .
H18A H 0.3774 0.6938 0.4663 0.047 Uiso 1 1 calc R . .
H18B H 0.4408 0.6955 0.5901 0.047 Uiso 1 1 calc R . .
H18C H 0.3525 0.6506 0.5510 0.047 Uiso 1 1 calc R . .
C19 C 0.55301(16) 0.64947(11) 0.48671(17) 0.0302(5) Uani 1 1 d . . .
H19A H 0.5912 0.6179 0.4683 0.045 Uiso 1 1 calc R . .
H19B H 0.5918 0.6714 0.5503 0.045 Uiso 1 1 calc R . .
H19C H 0.5302 0.6776 0.4264 0.045 Uiso 1 1 calc R . .
C20 C 0.50421(17) 0.58092(11) 0.61025(16) 0.0313(5) Uani 1 1 d . . .
H20A H 0.4502 0.5633 0.6268 0.047 Uiso 1 1 calc R . .
H20B H 0.5416 0.6055 0.6710 0.047 Uiso 1 1 calc R . .
H20C H 0.5438 0.5486 0.5970 0.047 Uiso 1 1 calc R . .
N21 N 0.29880(11) 0.51995(7) 0.04738(12) 0.0161(3) Uani 1 1 d . . .
C22 C 0.36365(12) 0.55412(8) 0.11962(13) 0.0152(3) Uani 1 1 d . . .
C23 C 0.42542(13) 0.59142(8) 0.08916(14) 0.0167(3) Uani 1 1 d . . .
H23 H 0.4714 0.6142 0.1420 0.020 Uiso 1 1 calc R . .
C24 C 0.42064(13) 0.59584(8) -0.01800(14) 0.0163(3) Uani 1 1 d . . .
C25 C 0.35229(14) 0.56083(9) -0.09127(14) 0.0211(4) Uani 1 1 d . . .
H25 H 0.3462 0.5623 -0.1654 0.025 Uiso 1 1 calc R . .
C26 C 0.29342(14) 0.52401(9) -0.05635(15) 0.0214(4) Uani 1 1 d . . .
H26 H 0.2473 0.5006 -0.1077 0.026 Uiso 1 1 calc R . .
C27 C 0.48748(13) 0.63526(8) -0.05608(14) 0.0191(3) Uani 1 1 d . . .
C28 C 0.54926(15) 0.67532(10) 0.03359(16) 0.0264(4) Uani 1 1 d . . .
H28A H 0.5089 0.7018 0.0598 0.040 Uiso 1 1 calc R . .
H28B H 0.5910 0.6998 0.0059 0.040 Uiso 1 1 calc R . .
H28C H 0.5875 0.6500 0.0926 0.040 Uiso 1 1 calc R . .
C29 C 0.55210(17) 0.59303(11) -0.09321(19) 0.0334(5) Uani 1 1 d . . .
H29A H 0.5868 0.5668 -0.0336 0.050 Uiso 1 1 calc R . .
H29B H 0.5971 0.6170 -0.1167 0.050 Uiso 1 1 calc R . .
H29C H 0.5137 0.5683 -0.1530 0.050 Uiso 1 1 calc R . .
C30 C 0.43001(16) 0.67516(10) -0.14945(17) 0.0291(4) Uani 1 1 d . . .
H30A H 0.3952 0.6496 -0.2100 0.044 Uiso 1 1 calc R . .
H30B H 0.4729 0.7018 -0.1715 0.044 Uiso 1 1 calc R . .
H30C H 0.3852 0.6996 -0.1265 0.044 Uiso 1 1 calc R . .
C31 C 0.01875(13) 0.35594(9) 0.25026(14) 0.0202(4) Uani 1 1 d . . .
C32 C 0.02524(16) 0.29360(9) 0.24148(17) 0.0282(4) Uani 1 1 d . . .
H32 H 0.0828 0.2761 0.2397 0.034 Uiso 1 1 calc R . .
C33 C -0.05170(19) 0.25672(10) 0.23535(19) 0.0352(5) Uani 1 1 d . . .
H33 H -0.0464 0.2143 0.2294 0.042 Uiso 1 1 calc R . .
C34 C -0.13601(17) 0.28174(12) 0.23787(19) 0.0374(5) Uani 1 1 d . . .
H34 H -0.1885 0.2565 0.2338 0.045 Uiso 1 1 calc R . .
C35 C -0.14338(17) 0.34355(12) 0.2463(2) 0.0380(5) Uani 1 1 d . . .
H35 H -0.2012 0.3609 0.2479 0.046 Uiso 1 1 calc R . .
C36 C -0.06638(15) 0.38047(10) 0.25263(18) 0.0285(4) Uani 1 1 d . . .
H36 H -0.0720 0.4229 0.2586 0.034 Uiso 1 1 calc R . .
C37 C 0.10324(13) 0.39620(8) 0.25766(14) 0.0180(3) Uani 1 1 d . . .
H37A H 0.0991 0.4334 0.2975 0.022 Uiso 1 1 calc R . .
H37B H 0.1623 0.3749 0.2980 0.022 Uiso 1 1 calc R . .
C41 C 0.19746(13) 0.31972(8) 0.10823(14) 0.0176(3) Uani 1 1 d . . .
C42 C 0.16923(16) 0.26922(9) 0.04261(17) 0.0266(4) Uani 1 1 d . . .
H42 H 0.1167 0.2720 -0.0212 0.032 Uiso 1 1 calc R . .
C43 C 0.21740(18) 0.21459(10) 0.0698(2) 0.0342(5) Uani 1 1 d . . .
H43 H 0.1978 0.1806 0.0241 0.041 Uiso 1 1 calc R . .
C44 C 0.29360(18) 0.20974(10) 0.1630(2) 0.0338(5) Uani 1 1 d . . .
H44 H 0.3256 0.1723 0.1822 0.041 Uiso 1 1 calc R . .
C45 C 0.32277(16) 0.25968(10) 0.22788(17) 0.0288(4) Uani 1 1 d . . .
H45 H 0.3754 0.2565 0.2916 0.035 Uiso 1 1 calc R . .
C46 C 0.27581(14) 0.31466(9) 0.20089(15) 0.0213(4) Uani 1 1 d . . .
H46 H 0.2972 0.3488 0.2457 0.026 Uiso 1 1 calc R . .
Cl1 Cl 0.24360(8) 0.47655(3) 0.64846(5) 0.0275(2) Uani 0.907(4) 1 d PDU A 1
O1 O 0.15728(18) 0.47915(10) 0.67621(18) 0.0470(6) Uani 0.907(4) 1 d PD A 1
O2 O 0.2250(3) 0.44855(14) 0.54568(19) 0.0477(8) Uani 0.907(4) 1 d PDU A 1
O3 O 0.2737(2) 0.53798(9) 0.64439(16) 0.0318(5) Uani 0.907(4) 1 d PDU A 1
O4 O 0.31255(19) 0.44305(9) 0.73021(17) 0.0506(7) Uani 0.907(4) 1 d PD A 1
Cl1' Cl 0.2856(7) 0.4671(3) 0.6564(6) 0.0330(19) Uiso 0.093(4) 1 d PDU A 2
O1' O 0.2125(14) 0.4549(10) 0.7047(17) 0.047(6) Uiso 0.093(4) 1 d PD A 2
O2' O 0.3090(12) 0.5296(6) 0.6568(15) 0.016(4) Uiso 0.093(4) 1 d PDU A 2
O3' O 0.2538(16) 0.4448(13) 0.5484(13) 0.026(6) Uiso 0.093(4) 1 d PDU A 2
O4' O 0.3721(14) 0.4398(11) 0.712(2) 0.073(8) Uiso 0.093(4) 1 d PD A 2
C98 C -0.0397(2) 0.08823(12) 0.0272(2) 0.0485(7) Uani 1 1 d . . .
H98A H 0.0144 0.0612 0.0321 0.058 Uiso 1 1 calc R . .
H98B H -0.0901 0.0798 -0.0413 0.058 Uiso 1 1 calc R . .
Cl2 Cl -0.08241(7) 0.07391(6) 0.13575(7) 0.0836(3) Uani 1 1 d . . .
Cl3 Cl -0.00396(7) 0.16284(4) 0.02960(7) 0.0629(2) Uani 1 1 d . . .
C99 C 0.8522(3) 0.30882(18) -0.0386(3) 0.0487(9) Uani 0.820(3) 1 d PDU B 1
H99A H 0.8944 0.2755 -0.0445 0.058 Uiso 0.820(3) 1 calc PR B 1
H99B H 0.8730 0.3228 0.0368 0.058 Uiso 0.820(3) 1 calc PR B 1
Cl4 Cl 0.73655(8) 0.28216(5) -0.07240(13) 0.0643(5) Uani 0.820(3) 1 d PD B 1
Cl5 Cl 0.86215(8) 0.36836(4) -0.12200(13) 0.0390(2) Uani 0.820(3) 1 d PDU B 1
C99' C 0.8039(13) 0.3100(11) -0.0448(16) 0.077(6) Uiso 0.180(3) 1 d PDU B 2
H99C H 0.8439 0.2742 -0.0169 0.093 Uiso 0.180(3) 1 calc PR B 2
H99D H 0.7866 0.3279 0.0154 0.093 Uiso 0.180(3) 1 calc PR B 2
Cl4' Cl 0.7021(3) 0.28718(17) -0.1430(4) 0.0400(11) Uiso 0.180(3) 1 d PD B 2
Cl5' Cl 0.8699(7) 0.3626(5) -0.0897(8) 0.084(3) Uiso 0.180(3) 1 d PDU B 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_1
_geom_angle_site_symmetry_3
N11 Pd N21 78.65(6) . .
N11 Pd C1 109.61(6) . .
N21 Pd C1 169.32(6) . .
N11 Pd C3 172.61(6) . .
N21 Pd C3 108.65(6) . .
C1 Pd C3 63.28(6) . .
N11 Pd C2 135.47(6) . .
N21 Pd C2 138.89(6) . .
C1 Pd C2 38.06(6) . .
C3 Pd C2 37.57(6) . .
N11 Pd C5 116.12(6) . .
N21 Pd C5 134.21(6) . .
C1 Pd C5 36.43(6) . .
C3 Pd C5 59.75(6) . .
C2 Pd C5 60.12(6) . .
N11 Pd C4 143.33(6) . .
N21 Pd C4 109.34(6) . .
C1 Pd C4 59.99(6) . .
C3 Pd C4 36.18(6) . .
C2 Pd C4 59.90(6) . .
C5 Pd C4 33.68(5) . .
C2 C1 C5 107.87(14) . .
C2 C1 C37 126.90(15) . .
C5 C1 C37 122.42(15) . .
C2 C1 Pd 72.25(10) . .
C5 C1 Pd 82.14(10) . .
C37 C1 Pd 127.16(12) . .
C3 C2 C1 107.40(15) . .
C3 C2 C41 125.57(16) . .
C1 C2 C41 126.96(15) . .
C3 C2 Pd 71.07(9) . .
C1 C2 Pd 69.69(9) . .
C41 C2 Pd 122.18(12) . .
C2 C3 C4 108.15(14) . .
C2 C3 C7 126.19(16) . .
C4 C3 C7 123.90(15) . .
C2 C3 Pd 71.36(9) . .
C4 C3 Pd 81.30(10) . .
C7 C3 Pd 125.57(12) . .
C6 C4 C5 121.98(15) 3_565 .
C6 C4 C3 130.33(15) 3_565 .
C5 C4 C3 107.51(14) . .
C6 C4 Pd 126.31(12) 3_565 .
C5 C4 Pd 73.04(9) . .
C3 C4 Pd 62.53(9) . .
C6 C5 C4 121.37(15) . .
C6 C5 C1 131.21(15) . .
C4 C5 C1 107.16(14) . .
C6 C5 Pd 126.33(12) . .
C4 C5 Pd 73.28(10) . .
C1 C5 Pd 61.43(9) . .
C5 C6 C4 116.65(15) . 3_565
C16 N11 C12 118.33(15) . .
C16 N11 Pd 126.43(12) . .
C12 N11 Pd 115.25(11) . .
N11 C12 C13 121.40(15) . .
N11 C12 C22 115.44(15) . .
C13 C12 C22 123.09(16) . .
C14 C13 C12 120.80(16) . .
C13 C14 C15 116.66(16) . .
C13 C14 C17 123.33(16) . .
C15 C14 C17 119.97(16) . .
C16 C15 C14 120.02(17) . .
N11 C16 C15 122.71(17) . .
C14 C17 C18 107.60(16) . .
C14 C17 C20 109.52(16) . .
C18 C17 C20 108.65(17) . .
C14 C17 C19 111.57(15) . .
C18 C17 C19 110.27(18) . .
C20 C17 C19 109.17(17) . .
C26 N21 C22 118.26(15) . .
C26 N21 Pd 126.36(12) . .
C22 N21 Pd 115.38(11) . .
N21 C22 C23 121.51(15) . .
N21 C22 C12 114.99(15) . .
C23 C22 C12 123.45(15) . .
C22 C23 C24 120.68(16) . .
C23 C24 C25 116.76(16) . .
C23 C24 C27 123.07(16) . .
C25 C24 C27 120.15(15) . .
C26 C25 C24 120.11(16) . .
N21 C26 C25 122.65(17) . .
C24 C27 C28 112.06(15) . .
C24 C27 C29 107.38(16) . .
C28 C27 C29 108.42(17) . .
C24 C27 C30 109.67(16) . .
C28 C27 C30 109.13(16) . .
C29 C27 C30 110.17(17) . .
C36 C31 C32 118.56(19) . .
C36 C31 C37 120.84(18) . .
C32 C31 C37 120.60(18) . .
C33 C32 C31 120.7(2) . .
C34 C33 C32 120.1(2) . .
C35 C34 C33 119.7(2) . .
C34 C35 C36 120.2(2) . .
C31 C36 C35 120.7(2) . .
C1 C37 C31 111.32(14) . .
C42 C41 C46 118.57(17) . .
C42 C41 C2 120.00(17) . .
C46 C41 C2 121.42(16) . .
C41 C42 C43 120.66(19) . .
C44 C43 C42 120.2(2) . .
C45 C44 C43 119.52(19) . .
C44 C45 C46 120.69(19) . .
C45 C46 C41 120.29(18) . .
O2 Cl1 O4 111.04(18) . .
O2 Cl1 O3 110.07(14) . .
O4 Cl1 O3 111.10(15) . .
O2 Cl1 O1 109.66(18) . .
O4 Cl1 O1 108.28(14) . .
O3 Cl1 O1 106.57(14) . .
O4' Cl1' O2' 103.5(13) . .
O4' Cl1' O3' 108.8(15) . .
O2' Cl1' O3' 109.9(14) . .
O4' Cl1' O1' 112.9(15) . .
O2' Cl1' O1' 113.3(12) . .
O3' Cl1' O1' 108.3(13) . .
Cl3 C98 Cl2 110.16(17) . .
Cl4 C99 Cl5 111.8(2) . .
Cl4' C99' Cl5' 113.5(11) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pd N11 2.0724(14) .
Pd N21 2.0751(15) .
Pd C1 2.1861(17) .
Pd C3 2.2161(16) .
Pd C2 2.2200(17) .
Pd C5 2.4658(17) .
Pd C4 2.4690(17) .
C1 C2 1.437(2) .
C1 C5 1.478(2) .
C1 C37 1.511(2) .
C2 C3 1.429(2) .
C2 C41 1.478(2) .
C3 C4 1.474(2) .
C3 C7 1.496(2) .
C4 C6 1.391(2) 3_565
C4 C5 1.430(2) .
C5 C6 1.391(2) .
C6 C4 1.391(2) 3_565
N11 C16 1.342(2) .
N11 C12 1.349(2) .
C12 C13 1.393(2) .
C12 C22 1.478(2) .
C13 C14 1.389(2) .
C14 C15 1.397(3) .
C14 C17 1.526(2) .
C15 C16 1.382(3) .
C17 C18 1.530(3) .
C17 C20 1.530(3) .
C17 C19 1.534(3) .
N21 C26 1.344(2) .
N21 C22 1.351(2) .
C22 C23 1.389(2) .
C23 C24 1.392(2) .
C24 C25 1.394(2) .
C24 C27 1.526(2) .
C25 C26 1.381(3) .
C27 C28 1.528(3) .
C27 C29 1.531(3) .
C27 C30 1.534(3) .
C31 C36 1.391(3) .
C31 C32 1.393(3) .
C31 C37 1.522(3) .
C32 C33 1.390(3) .
C33 C34 1.385(4) .
C34 C35 1.382(4) .
C35 C36 1.391(3) .
C41 C42 1.394(3) .
C41 C46 1.397(3) .
C42 C43 1.395(3) .
C43 C44 1.384(4) .
C44 C45 1.380(3) .
C45 C46 1.394(3) .
Cl1 O2 1.432(2) .
Cl1 O4 1.435(2) .
Cl1 O3 1.4402(17) .
Cl1 O1 1.448(2) .
Cl1' O4' 1.401(13) .
Cl1' O2' 1.429(12) .
Cl1' O3' 1.433(13) .
Cl1' O1' 1.453(12) .
C98 Cl3 1.735(3) .
C98 Cl2 1.768(3) .
C99 Cl4 1.741(4) .
C99 Cl5 1.753(3) .
C99' Cl4' 1.726(14) .
C99' Cl5' 1.746(14) .
