#------------------------------------------------------------------------------
#$Date: 2016-03-26 14:16:45 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180255 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/41/7114108.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_7114108
loop_
_publ_author_name
'Qin, Zengquan'
'Jennings, Michael C.'
'Puddephatt, Richard J.'
_publ_section_title
;
 Crosslinking a palladium(ii) polymer gives a laminated sheet structure
;
_journal_issue                   4
_journal_name_full               'Chemical Communications'
_journal_page_first              354
_journal_paper_doi               10.1039/b110307e
_journal_year                    2002
_chemical_formula_sum            'C51 H50 F6 N4 O10 P2 Pd S2'
_chemical_formula_weight         1225.41
_chemical_name_systematic
; 
? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 92.8350(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.3005(3)
_cell_length_b                   20.1563(4)
_cell_length_c                   17.2929(5)
_cell_measurement_temperature    200(2)
_cell_volume                     5674.8(2)
_computing_cell_refinement       'Nonius DENZO'
_computing_data_collection       'Nonius COLLECT'
_computing_data_reduction        'Nonius DENZO'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Nonius Kappa-CCD'
_diffrn_measurement_method       'phi/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  0.093
_diffrn_reflns_av_sigmaI/netI    0.0897
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            44863
_diffrn_reflns_theta_full        25.11
_diffrn_reflns_theta_max         25.11
_diffrn_reflns_theta_min         2.57
_exptl_absorpt_coefficient_mu    0.534
_exptl_absorpt_correction_T_max  0.9124
_exptl_absorpt_correction_T_min  0.8435
_exptl_absorpt_correction_type   integration
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.434
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       shoebox
_exptl_crystal_F_000             2504
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.17
_refine_diff_density_max         4.762
_refine_diff_density_min         -1.376
_refine_diff_density_rms         0.182
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.073
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     639
_refine_ls_number_reflns         10084
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.073
_refine_ls_R_factor_all          0.1636
_refine_ls_R_factor_gt           0.1259
_refine_ls_shift/su_max          1.458
_refine_ls_shift/su_mean         0.042
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1444P)²+117.5860P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3532
_refine_ls_wR_factor_ref         0.3714
_reflns_number_gt                6644
_reflns_number_total             10084
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b110307e.txt
_cod_data_source_block           01041
_cod_depositor_comments
;
The following automatic conversions were performed:

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

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_sg_symbol_H-M      P21/n
_cod_database_code               7114108
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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
Pd Pd 0.68881(6) 0.12561(4) 0.79341(6) 0.0350(3) Uani 1 1 d .
P1 P 0.7922(2) 0.19390(17) 0.8354(2) 0.0403(8) Uani 1 1 d .
P2 P 0.6496(2) 0.19353(18) 0.6942(2) 0.0445(8) Uani 1 1 d .
C1 C 0.8333(8) 0.2537(8) 0.7697(9) 0.057(4) Uani 1 1 d .
H1A H 0.8688 0.2853 0.7997 0.068 Uiso 1 1 calc R
H1B H 0.8681 0.2302 0.7331 0.068 Uiso 1 1 calc R
C2 C 0.7669(10) 0.2928(8) 0.7233(10) 0.067(5) Uani 1 1 d .
H2A H 0.7259 0.3091 0.7592 0.081 Uiso 1 1 calc R
H2B H 0.7925 0.3321 0.6999 0.081 Uiso 1 1 calc R
C3 C 0.7229(9) 0.2528(9) 0.6596(10) 0.066(5) Uani 1 1 d .
H3A H 0.7643 0.2287 0.6305 0.079 Uiso 1 1 calc R
H3B H 0.6938 0.2837 0.6232 0.079 Uiso 1 1 calc R
C1A C 0.7662(5) 0.2419(5) 0.9196(5) 0.047(3) Uani 1 1 d G
C1B C 0.6885(5) 0.2352(5) 0.9484(6) 0.063(4) Uani 1 1 d G
H1BA H 0.6487 0.2077 0.9225 0.076 Uiso 1 1 calc R
C1C C 0.6691(6) 0.2689(6) 1.0153(7) 0.089(6) Uani 1 1 d G
H1CA H 0.6160 0.2644 1.0350 0.107 Uiso 1 1 calc R
C1D C 0.7273(8) 0.3093(7) 1.0532(7) 0.099(7) Uani 1 1 d G
H1DA H 0.7141 0.3323 1.0989 0.119 Uiso 1 1 calc R
C1E C 0.8050(7) 0.3159(6) 1.0243(7) 0.097(7) Uani 1 1 d G
H1EA H 0.8448 0.3435 1.0503 0.116 Uiso 1 1 calc R
C1F C 0.8244(5) 0.2822(5) 0.9575(6) 0.067(5) Uani 1 1 d G
H1FA H 0.8775 0.2868 0.9378 0.080 Uiso 1 1 calc R
C1G C 0.8800(5) 0.1440(4) 0.8655(6) 0.050(3) Uani 1 1 d G
C1H C 0.8999(6) 0.1302(5) 0.9429(5) 0.066(4) Uani 1 1 d G
H1HA H 0.8687 0.1493 0.9822 0.079 Uiso 1 1 calc R
C1I C 0.9654(7) 0.0884(6) 0.9628(6) 0.089(7) Uani 1 1 d G
H1IA H 0.9790 0.0789 1.0157 0.107 Uiso 1 1 calc R
C1J C 1.0110(6) 0.0604(5) 0.9053(9) 0.089(6) Uani 1 1 d G
H1JA H 1.0557 0.0318 0.9190 0.107 Uiso 1 1 calc R
C1K C 0.9911(6) 0.0742(6) 0.8279(8) 0.080(6) Uani 1 1 d G
H1KA H 1.0223 0.0551 0.7886 0.096 Uiso 1 1 calc R
C1L C 0.9256(6) 0.1160(6) 0.8080(5) 0.065(4) Uani 1 1 d G
H1LA H 0.9120 0.1255 0.7551 0.078 Uiso 1 1 calc R
C2A C 0.5577(5) 0.2408(5) 0.7126(5) 0.051(4) Uani 1 1 d G
C2B C 0.5242(6) 0.2844(5) 0.6574(5) 0.063(4) Uani 1 1 d G
H2BA H 0.5498 0.2901 0.6096 0.075 Uiso 1 1 calc R
C2C C 0.4534(6) 0.3197(5) 0.6720(6) 0.079(6) Uani 1 1 d G
H2CA H 0.4306 0.3496 0.6342 0.095 Uiso 1 1 calc R
C2D C 0.4161(6) 0.3114(5) 0.7419(7) 0.076(5) Uani 1 1 d G
H2DA H 0.3677 0.3356 0.7519 0.091 Uiso 1 1 calc R
C2E C 0.4495(6) 0.2678(5) 0.7971(5) 0.076(5) Uani 1 1 d G
H2EA H 0.4240 0.2621 0.8449 0.092 Uiso 1 1 calc R
C2F C 0.5203(6) 0.2325(5) 0.7825(5) 0.054(4) Uani 1 1 d G
H2FA H 0.5432 0.2027 0.8203 0.065 Uiso 1 1 calc R
C2G C 0.6238(7) 0.1431(5) 0.6103(6) 0.062(4) Uani 1 1 d G
C2H C 0.6880(6) 0.1131(8) 0.5735(7) 0.100(7) Uani 1 1 d G
H2HA H 0.7432 0.1210 0.5913 0.120 Uiso 1 1 calc R
C2I C 0.6714(10) 0.0714(8) 0.5106(7) 0.135(11) Uani 1 1 d G
H2IA H 0.7153 0.0509 0.4854 0.162 Uiso 1 1 calc R
C2J C 0.5907(12) 0.0598(7) 0.4845(7) 0.119(9) Uani 1 1 d G
H2JA H 0.5793 0.0313 0.4415 0.143 Uiso 1 1 calc R
C2K C 0.5265(8) 0.0899(7) 0.5213(8) 0.112(8) Uani 1 1 d G
H2KA H 0.4713 0.0819 0.5035 0.135 Uiso 1 1 calc R
C2L C 0.5431(6) 0.1315(6) 0.5842(7) 0.081(6) Uani 1 1 d G
H2LA H 0.4992 0.1520 0.6094 0.097 Uiso 1 1 calc R
N11 N 0.7241(6) 0.0574(5) 0.8807(6) 0.036(2) Uani 1 1 d .
C12 C 0.6919(7) 0.0571(6) 0.9499(7) 0.036(3) Uani 1 1 d .
H12A H 0.6544 0.0913 0.9615 0.044 Uiso 1 1 calc R
C13 C 0.7100(8) 0.0095(6) 1.0063(7) 0.040(3) Uani 1 1 d .
H13A H 0.6865 0.0117 1.0554 0.049 Uiso 1 1 calc R
C14 C 0.7639(7) -0.0418(6) 0.9890(7) 0.037(3) Uani 1 1 d .
C15 C 0.7986(8) -0.0410(6) 0.9169(7) 0.042(3) Uani 1 1 d .
H15A H 0.8377 -0.0735 0.9036 0.050 Uiso 1 1 calc R
C16 C 0.7745(8) 0.0084(6) 0.8654(8) 0.044(3) Uani 1 1 d .
H16A H 0.7959 0.0071 0.8153 0.053 Uiso 1 1 calc R
N17 N 0.7811(6) -0.0883(5) 1.0457(6) 0.039(2) Uani 1 1 d .
H17A H 0.7629 -0.0795 1.0916 0.046 Uiso 1 1 calc R
C18 C 0.8235(8) -0.1471(6) 1.0393(7) 0.038(3) Uani 1 1 d .
O19 O 0.8589(6) -0.1617(4) 0.9811(5) 0.048(2) Uani 1 1 d .
N21 N 0.5991(6) 0.0555(5) 0.7584(6) 0.039(2) Uani 1 1 d .
C22 C 0.5216(8) 0.0524(6) 0.7846(8) 0.047(3) Uani 1 1 d .
H22A H 0.5038 0.0869 0.8173 0.057 Uiso 1 1 calc R
C23 C 0.4690(8) 0.0025(6) 0.7659(8) 0.044(3) Uani 1 1 d .
H23A H 0.4147 0.0039 0.7833 0.053 Uiso 1 1 calc R
C24 C 0.4930(7) -0.0509(6) 0.7218(7) 0.039(3) Uani 1 1 d .
C25 C 0.5722(8) -0.0477(6) 0.6938(7) 0.042(3) Uani 1 1 d .
H25A H 0.5912 -0.0816 0.6609 0.051 Uiso 1 1 calc R
C26 C 0.6217(8) 0.0046(7) 0.7144(8) 0.046(3) Uani 1 1 d .
H26A H 0.6758 0.0050 0.6964 0.055 Uiso 1 1 calc R
N27 N 0.4388(6) -0.1031(5) 0.7082(7) 0.043(3) Uani 1 1 d .
H27A H 0.3895 -0.0982 0.7259 0.052 Uiso 1 1 calc R
C28 C 0.4531(8) -0.1618(6) 0.6705(8) 0.043(3) Uani 1 1 d .
O29 O 0.5171(5) -0.1715(5) 0.6380(6) 0.051(2) Uani 1 1 d .
C31 C 0.8878(8) -0.2872(6) 1.1715(7) 0.038(3) Uani 1 1 d .
C32 C 0.7752(10) -0.2312(7) 1.2273(9) 0.054(4) Uani 1 1 d .
H32A H 0.7386 -0.2270 1.2681 0.065 Uiso 1 1 calc R
C33 C 0.7682(9) -0.1868(7) 1.1660(8) 0.051(4) Uani 1 1 d .
H33A H 0.7267 -0.1537 1.1637 0.061 Uiso 1 1 calc R
C34 C 0.8244(8) -0.1924(6) 1.1077(7) 0.036(3) Uani 1 1 d .
C35 C 0.8820(7) -0.2424(6) 1.1105(7) 0.038(3) Uani 1 1 d .
H35A H 0.9186 -0.2464 1.0697 0.046 Uiso 1 1 calc R
C36 C 0.8331(9) -0.2815(7) 1.2314(9) 0.056(4) Uani 1 1 d .
H36A H 0.8359 -0.3114 1.2739 0.067 Uiso 1 1 calc R
F41 F 0.5085(16) 0.1482(11) 1.1181(10) 0.221(13) Uani 1 1 d .
F42 F 0.4066(8) 0.0880(8) 1.1056(7) 0.123(5) Uani 1 1 d .
F43 F 0.5138(14) 0.0608(12) 1.0609(11) 0.200(11) Uani 1 1 d .
C44 C 0.4682(11) 0.1126(13) 1.0709(12) 0.083(6) Uani 1 1 d .
S45 S 0.4431(3) 0.1527(3) 0.9803(3) 0.0743(13) Uani 1 1 d .
O46 O 0.3825(16) 0.1978(11) 1.0004(12) 0.178(10) Uani 1 1 d .
O47 O 0.5194(10) 0.1686(13) 0.9533(11) 0.174(10) Uani 1 1 d .
O48 O 0.4016(10) 0.1042(10) 0.9322(9) 0.127(6) Uani 1 1 d .
F51 F 0.1533(12) -0.0162(12) 0.6320(9) 0.188(9) Uani 1 1 d .
F52 F 0.2646(12) 0.0346(8) 0.6409(8) 0.144(6) Uani 1 1 d .
F53 F 0.1573(9) 0.0760(8) 0.6887(8) 0.131(5) Uani 1 1 d .
C54 C 0.2017(17) 0.0190(11) 0.6786(11) 0.091(6) Uani 1 1 d .
S55 S 0.2241(2) -0.01972(17) 0.7694(2) 0.0512(9) Uani 1 1 d .
O56 O 0.2730(6) 0.0305(5) 0.8088(6) 0.061(3) Uani 1 1 d .
O57 O 0.2706(7) -0.0766(5) 0.7478(8) 0.082(4) Uani 1 1 d .
O58 O 0.1469(7) -0.0321(6) 0.8014(8) 0.084(4) Uani 1 1 d .
C61 C 0.932(2) -0.070(2) 0.689(3) 0.27(3) Uani 1 1 d D
H61A H 0.9152 -0.0770 0.7422 0.401 Uiso 1 1 calc R
H61B H 0.9817 -0.0418 0.6910 0.401 Uiso 1 1 calc R
H61C H 0.9446 -0.1125 0.6656 0.401 Uiso 1 1 calc R
C62 C 0.8700(13) -0.0384(11) 0.6463(15) 0.093(6) Uani 1 1 d D
C63 C 0.869(5) -0.044(3) 0.565(3) 0.43(6) Uani 1 1 d D
H63A H 0.8210 -0.0213 0.5415 0.641 Uiso 1 1 calc R
H63B H 0.8671 -0.0912 0.5500 0.641 Uiso 1 1 calc R
H63C H 0.9193 -0.0241 0.5456 0.641 Uiso 1 1 calc R
O64 O 0.8211(10) -0.0062(12) 0.6762(10) 0.147(8) Uani 1 1 d D
O71 O 0.9037(14) 0.162(2) 0.5963(17) 0.250(16) Uani 1 1 d .
H71A H 0.8713 0.1440 0.6266 0.374 Uiso 1 1 calc R
C72 C 0.982(3) 0.158(3) 0.628(3) 0.28(3) Uani 1 1 d .
H72A H 1.0009 0.2032 0.6418 0.414 Uiso 1 1 calc R
H72B H 1.0181 0.1391 0.5905 0.414 Uiso 1 1 calc R
H72C H 0.9828 0.1308 0.6747 0.414 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'
F F 0.0171 0.0103 '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'
S S 0.1246 0.1234 '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
N21 Pd N11 85.9(4) .
N21 Pd P2 91.3(3) .
N11 Pd P2 176.3(3) .
N21 Pd P1 175.1(3) .
N11 Pd P1 89.7(3) .
P2 Pd P1 93.02(13) .
C1G P1 C1 103.8(6) .
C1G P1 C1A 106.2(5) .
C1 P1 C1A 104.9(7) .
C1G P1 Pd 108.7(4) .
C1 P1 Pd 119.8(5) .
C1A P1 Pd 112.4(3) .
C2G P2 C3 103.7(7) .
C2G P2 C2A 105.9(5) .
C3 P2 C2A 106.0(7) .
C2G P2 Pd 108.4(4) .
C3 P2 Pd 118.9(5) .
C2A P2 Pd 112.9(3) .
C2 C1 P1 113.4(9) .
C3 C2 C1 113.7(15) .
C2 C3 P2 114.0(11) .
C1B C1A C1F 120.0 .
C1B C1A P1 119.3(5) .
C1F C1A P1 120.6(5) .
C1C C1B C1A 120.0 .
C1B C1C C1D 120.0 .
C1E C1D C1C 120.0 .
C1D C1E C1F 120.0 .
C1E C1F C1A 120.0 .
C1H C1G C1L 120.0 .
C1H C1G P1 122.2(6) .
C1L C1G P1 117.7(6) .
C1G C1H C1I 120.0 .
C1J C1I C1H 120.0 .
C1I C1J C1K 120.0 .
C1L C1K C1J 120.0 .
C1K C1L C1G 120.0 .
C2B C2A C2F 120.0 .
C2B C2A P2 120.7(5) .
C2F C2A P2 119.3(5) .
C2C C2B C2A 120.0 .
C2B C2C C2D 120.0 .
C2C C2D C2E 120.0 .
C2F C2E C2D 120.0 .
C2E C2F C2A 120.0 .
C2H C2G C2L 120.0 .
C2H C2G P2 117.6(7) .
C2L C2G P2 122.3(7) .
C2G C2H C2I 120.0 .
C2J C2I C2H 120.0 .
C2I C2J C2K 120.0 .
C2L C2K C2J 120.0 .
C2K C2L C2G 120.0 .
C16 N11 C12 117.0(11) .
C16 N11 Pd 119.8(9) .
C12 N11 Pd 122.9(8) .
N11 C12 C13 123.7(11) .
C12 C13 C14 118.3(12) .
N17 C14 C15 124.7(11) .
N17 C14 C13 117.3(11) .
C15 C14 C13 118.0(11) .
C16 C15 C14 118.1(12) .
N11 C16 C15 124.9(12) .
C18 N17 C14 127.9(11) .
O19 C18 N17 122.2(11) .
O19 C18 C34 121.2(11) .
N17 C18 C34 116.6(11) .
C26 N21 C22 116.1(11) .
C26 N21 Pd 118.1(8) .
C22 N21 Pd 125.3(8) .
C23 C22 N21 122.7(12) .
C22 C23 C24 121.1(13) .
C23 C24 N27 119.2(11) .
C23 C24 C25 116.4(11) .
N27 C24 C25 124.5(11) .
C26 C25 C24 119.2(12) .
N21 C26 C25 124.3(12) .
C28 N27 C24 127.7(11) .
O29 C28 N27 121.5(12) .
O29 C28 C31 121.6(12) 4
N27 C28 C31 116.9(11) 4
C35 C31 C36 119.0(12) .
C35 C31 C28 117.7(11) 4_656
C36 C31 C28 123.3(12) 4_656
C36 C32 C33 122.8(14) .
C32 C33 C34 117.8(13) .
C35 C34 C33 120.2(12) .
C35 C34 C18 117.1(11) .
C33 C34 C18 122.7(11) .
C34 C35 C31 121.6(12) .
C32 C36 C31 118.6(13) .
F41 C44 F42 108(2) .
F41 C44 F43 105(2) .
F42 C44 F43 102(2) .
F41 C44 S45 113.7(18) .
F42 C44 S45 115.5(14) .
F43 C44 S45 110.7(16) .
O47 S45 O46 126.1(16) .
O47 S45 O48 111.6(13) .
O46 S45 O48 105.6(14) .
O47 S45 C44 103.2(9) .
O46 S45 C44 102.0(11) .
O48 S45 C44 106.3(11) .
F52 C54 F51 106.9(18) .
F52 C54 F53 107.5(19) .
F51 C54 F53 103(2) .
F52 C54 S55 115.0(19) .
F51 C54 S55 113.4(18) .
F53 C54 S55 110.0(13) .
O58 S55 O57 116.7(7) .
O58 S55 O56 114.8(7) .
O57 S55 O56 113.5(7) .
O58 S55 C54 105.9(11) .
O57 S55 C54 102.1(9) .
O56 S55 C54 101.2(9) .
O64 C62 C63 121(3) .
O64 C62 C61 121(3) .
C63 C62 C61 118(4) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pd N21 2.101(10) .
Pd N11 2.101(10) .
Pd P2 2.262(4) .
Pd P1 2.267(3) .
P1 C1G 1.805(8) .
P1 C1 1.808(14) .
P1 C1A 1.816(8) .
P2 C2G 1.804(9) .
P2 C3 1.813(16) .
P2 C2A 1.817(7) .
C1 C2 1.53(2) .
C2 C3 1.52(2) .
C1A C1B 1.3900 .
C1A C1F 1.3900 .
C1B C1C 1.3900 .
C1C C1D 1.3900 .
C1D C1E 1.3900 .
C1E C1F 1.3900 .
C1G C1H 1.3900 .
C1G C1L 1.3900 .
C1H C1I 1.3900 .
C1I C1J 1.3900 .
C1J C1K 1.3900 .
C1K C1L 1.3900 .
C2A C2B 1.3900 .
C2A C2F 1.3900 .
C2B C2C 1.3900 .
C2C C2D 1.3900 .
C2D C2E 1.3900 .
C2E C2F 1.3900 .
C2G C2H 1.3900 .
C2G C2L 1.3900 .
C2H C2I 1.3900 .
C2I C2J 1.3900 .
C2J C2K 1.3900 .
C2K C2L 1.3900 .
N11 C16 1.319(16) .
N11 C12 1.331(16) .
C12 C13 1.390(17) .
C13 C14 1.399(17) .
C14 N17 1.375(15) .
C14 C15 1.394(18) .
C15 C16 1.379(18) .
N17 C18 1.378(15) .
C18 O19 1.221(15) .
C18 C34 1.495(17) .
N21 C26 1.339(16) .
N21 C22 1.365(16) .
C22 C23 1.351(18) .
C23 C24 1.386(18) .
C24 N27 1.387(15) .
C24 C25 1.402(17) .
C25 C26 1.365(18) .
N27 C28 1.376(16) .
C28 O29 1.225(16) .
C28 C31 1.480(17) 4
C31 C35 1.388(17) .
C31 C36 1.404(19) .
C31 C28 1.480(17) 4_656
C32 C36 1.38(2) .
C32 C33 1.39(2) .
C33 C34 1.399(18) .
C34 C35 1.377(17) .
F41 C44 1.25(3) .
F42 C44 1.29(2) .
F43 C44 1.30(3) .
C44 S45 1.79(2) .
S45 O47 1.388(16) .
S45 O46 1.40(2) .
S45 O48 1.431(16) .
F51 C54 1.31(3) .
F52 C54 1.28(3) .
F53 C54 1.37(2) .
C54 S55 1.77(2) .
S55 O58 1.422(11) .
S55 O57 1.434(11) .
S55 O56 1.439(10) .
C61 C62 1.38(4) .
C62 O64 1.17(2) .
C62 C63 1.42(5) .
O71 C72 1.36(4) .
