#------------------------------------------------------------------------------
#$Date: 2019-10-28 09:23:29 +0200 (Mon, 28 Oct 2019) $
#$Revision: 219800 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/21/54/2215455.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2215455
loop_
_publ_author_name
'Mei, Guang-Quan'
'Huang, Ke-Long'
'Huang, Hai-Ping'
_publ_section_title
;
 A dimer-to-dimer metal--metal linear aggregate from a nitrate-bridged
 cis-(2,2':6',2''-terpyridyl-κ³N)palladium(II)
 cofacial dimer
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2510
_journal_page_last               m2511
_journal_paper_doi               10.1107/S1600536807042766
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Pd2 (C15 H11 N3)2 N O3] (P F6)3, C2 H3 N'
_chemical_formula_moiety         'C30 H22 N7 O3 Pd2 3+, 3(F6 P)-, 0.5(C2 H3 N)'
_chemical_formula_sum            'C31 H23.5 F18 N7.5 O3 P3 Pd2'
_chemical_formula_weight         1196.78
_chemical_name_systematic
;
μ-nitrato-bis[(2,2':6',2''-terpyridyl-κ3N)palladium(II)]
 hexakis(hexafluorophosphate) acetonitrile solvate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                104.681(4)
_cell_angle_beta                 90.4500(10)
_cell_angle_gamma                102.226(3)
_cell_formula_units_Z            4
_cell_length_a                   14.0633(3)
_cell_length_b                   14.7277(4)
_cell_length_c                   20.7043(7)
_cell_measurement_reflns_used    683
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      27.52
_cell_measurement_theta_min      1.02
_cell_volume                     4045.6(2)
_computing_cell_refinement       'Rapid-Auto (Rigaku, 1999)'
_computing_data_collection       'Rapid-Auto (Rigaku, 1999)'
_computing_data_reduction        'Rapid-Auto (Rigaku, 1999)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2001)'
_computing_publication_material  'SHELXTL (Sheldrick, 2001)'
_computing_structure_refinement
'SHELXL97 (Sheldrick, 1997) and PLATON (Spek, 2003)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      291(2)
_diffrn_measured_fraction_theta_full 0.970
_diffrn_measured_fraction_theta_max 0.970
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID IP'
_diffrn_measurement_method       Oscillation
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rotating Anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0424
_diffrn_reflns_av_sigmaI/netI    0.0448
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            27513
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         1.02
_diffrn_standards_decay_%        1
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.136
_exptl_absorpt_correction_T_max  0.76
_exptl_absorpt_correction_T_min  0.71
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.965
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2340
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.971
_refine_diff_density_min         -0.609
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1165
_refine_ls_number_reflns         17102
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.070
_refine_ls_R_factor_all          0.0842
_refine_ls_R_factor_gt           0.0628
_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)+(0.0584P)²+15.4804P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1463
_refine_ls_wR_factor_ref         0.1559
_reflns_number_gt                13353
_reflns_number_total             17102
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            dn3057.cif
_cod_data_source_block           I
_cod_depositor_comments
;

2019-10-14
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            'C62 H47 F36 N15 O6 P6 Pd4'
_cod_original_formula_weight         2393.57
_cod_original_formula_moiety      '2(C30 H22 N7 O3 Pd2) 3+, 6(F6 P)-, C2 H3 N'
_cod_original_formula_iupac          '[Pd2 (C15 H11 N3)2 N O3] P F6, C2 H3 N'
_cod_original_formula_units_Z            2
_cod_database_code               2215455
_cod_database_fobs_code          2215455
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
C C1 0.8441(6) 0.2275(5) 0.1255(4) 0.0623(18) Uani d . 1
H H1 0.8076 0.2349 0.0902 0.075 Uiso calc R 1
C C2 0.9424(7) 0.2307(6) 0.1205(5) 0.082(3) Uani d . 1
H H2 0.9713 0.2400 0.0818 0.099 Uiso calc R 1
C C3 0.9971(7) 0.2206(6) 0.1706(6) 0.086(3) Uani d . 1
H H3 1.0639 0.2254 0.1674 0.103 Uiso calc R 1
C C4 0.9523(5) 0.2029(6) 0.2273(5) 0.070(2) Uani d . 1
H H4 0.9884 0.1937 0.2620 0.084 Uiso calc R 1
C C5 0.8541(5) 0.1994(5) 0.2312(4) 0.0542(16) Uani d . 1
C C6 0.7971(5) 0.1778(4) 0.2868(3) 0.0506(15) Uani d . 1
C C7 0.8311(6) 0.1654(6) 0.3457(4) 0.070(2) Uani d . 1
H H7 0.8974 0.1714 0.3546 0.085 Uiso calc R 1
C C8 0.7660(7) 0.1443(7) 0.3908(5) 0.085(3) Uani d . 1
H H8 0.7887 0.1351 0.4304 0.101 Uiso calc R 1
C C9 0.6679(7) 0.1363(6) 0.3796(4) 0.074(2) Uani d . 1
H H9 0.6244 0.1223 0.4112 0.089 Uiso calc R 1
C C10 0.6351(5) 0.1496(5) 0.3197(3) 0.0565(16) Uani d . 1
C C11 0.5346(5) 0.1491(5) 0.2974(3) 0.0555(16) Uani d . 1
C C12 0.4539(6) 0.1237(7) 0.3313(5) 0.080(3) Uani d . 1
H H12 0.4598 0.1050 0.3706 0.096 Uiso calc R 1
C C13 0.3645(6) 0.1267(7) 0.3060(5) 0.085(3) Uani d . 1
H H13 0.3093 0.1116 0.3290 0.102 Uiso calc R 1
C C14 0.3557(6) 0.1513(7) 0.2477(5) 0.082(3) Uani d . 1
H H14 0.2948 0.1521 0.2303 0.099 Uiso calc R 1
C C15 0.4389(5) 0.1753(6) 0.2146(4) 0.0642(19) Uani d . 1
H H15 0.4331 0.1920 0.1746 0.077 Uiso calc R 1
C C16 0.8965(6) 0.4625(5) 0.1568(4) 0.0606(18) Uani d . 1
H H16 0.8495 0.4592 0.1239 0.073 Uiso calc R 1
C C17 0.9929(7) 0.4792(6) 0.1429(5) 0.074(2) Uani d . 1
H H17 1.0109 0.4873 0.1012 0.089 Uiso calc R 1
C C18 1.0616(7) 0.4837(6) 0.1907(6) 0.086(3) Uani d . 1
H H18 1.1272 0.4950 0.1818 0.103 Uiso calc R 1
C C19 1.0344(6) 0.4714(6) 0.2529(5) 0.071(2) Uani d . 1
H H19 1.0809 0.4729 0.2856 0.085 Uiso calc R 1
C C20 0.9358(5) 0.4568(5) 0.2648(4) 0.0521(15) Uani d . 1
C C21 0.8970(5) 0.4443(4) 0.3283(3) 0.0493(14) Uani d . 1
C C22 0.9466(5) 0.4412(6) 0.3856(4) 0.0644(19) Uani d . 1
H H22 1.0138 0.4470 0.3875 0.077 Uiso calc R 1
C C23 0.8935(6) 0.4293(6) 0.4391(4) 0.070(2) Uani d . 1
H H23 0.9257 0.4273 0.4780 0.084 Uiso calc R 1
C C24 0.7940(6) 0.4202(6) 0.4373(3) 0.0649(19) Uani d . 1
H H24 0.7593 0.4118 0.4742 0.078 Uiso calc R 1
C C25 0.7471(5) 0.4238(4) 0.3800(3) 0.0473(14) Uani d . 1
C C26 0.6412(5) 0.4126(5) 0.3665(3) 0.0479(14) Uani d . 1
C C27 0.5710(6) 0.4027(6) 0.4121(4) 0.0658(19) Uani d . 1
H H27 0.5888 0.4028 0.4555 0.079 Uiso calc R 1
C C28 0.4757(6) 0.3927(6) 0.3930(4) 0.071(2) Uani d . 1
H H28 0.4280 0.3844 0.4231 0.085 Uiso calc R 1
C C29 0.4499(6) 0.3949(6) 0.3298(4) 0.067(2) Uani d . 1
H H29 0.3850 0.3897 0.3169 0.080 Uiso calc R 1
C C30 0.5220(5) 0.4051(5) 0.2854(3) 0.0530(15) Uani d . 1
H H30 0.5048 0.4067 0.2423 0.064 Uiso calc R 1
C C31 0.8777(6) 0.9041(6) 0.3936(4) 0.070(2) Uani d . 1
H H31 0.8445 0.8834 0.4277 0.084 Uiso calc R 1
C C32 0.9779(8) 0.9376(7) 0.4015(6) 0.098(3) Uani d . 1
H H32 1.0118 0.9383 0.4404 0.117 Uiso calc R 1
C C33 1.0271(7) 0.9702(7) 0.3515(8) 0.108(4) Uani d . 1
H H33 1.0943 0.9939 0.3567 0.130 Uiso calc R 1
C C34 0.9757(6) 0.9672(6) 0.2939(6) 0.090(3) Uani d . 1
H H34 1.0080 0.9883 0.2595 0.108 Uiso calc R 1
C C35 0.8759(5) 0.9327(5) 0.2875(4) 0.065(2) Uani d . 1
C C36 0.8132(6) 0.9311(5) 0.2302(4) 0.0627(19) Uani d . 1
C C37 0.8396(8) 0.9490(7) 0.1688(5) 0.090(3) Uani d . 1
H H37 0.9049 0.9650 0.1600 0.108 Uiso calc R 1
C C38 0.7674(9) 0.9425(8) 0.1219(6) 0.105(4) Uani d . 1
H H38 0.7846 0.9559 0.0814 0.126 Uiso calc R 1
C C39 0.6713(8) 0.9172(8) 0.1328(5) 0.093(3) Uani d . 1
H H39 0.6234 0.9123 0.1000 0.112 Uiso calc R 1
C C40 0.6459(6) 0.8988(5) 0.1937(4) 0.0621(18) Uani d . 1
C C41 0.5476(5) 0.8686(5) 0.2152(3) 0.0544(16) Uani d . 1
C C42 0.4628(7) 0.8680(7) 0.1818(4) 0.077(2) Uani d . 1
H H42 0.4644 0.8851 0.1415 0.093 Uiso calc R 1
C C43 0.3746(7) 0.8415(8) 0.2090(5) 0.089(3) Uani d . 1
H H43 0.3163 0.8394 0.1865 0.107 Uiso calc R 1
C C44 0.3740(6) 0.8187(7) 0.2683(5) 0.080(2) Uani d . 1
H H44 0.3154 0.8023 0.2875 0.096 Uiso calc R 1
C C45 0.4602(5) 0.8201(6) 0.2998(4) 0.0640(19) Uani d . 1
H H45 0.4587 0.8032 0.3402 0.077 Uiso calc R 1
C C46 0.9099(6) 0.6866(5) 0.3674(4) 0.0586(17) Uani d . 1
H H46 0.8650 0.6723 0.3982 0.070 Uiso calc R 1
C C47 1.0085(6) 0.7062(6) 0.3856(4) 0.072(2) Uani d . 1
H H47 1.0293 0.7050 0.4281 0.086 Uiso calc R 1
C C48 1.0740(6) 0.7271(6) 0.3415(5) 0.079(2) Uani d . 1
H H48 1.1403 0.7414 0.3538 0.095 Uiso calc R 1
C C49 1.0431(5) 0.7274(6) 0.2777(4) 0.068(2) Uani d . 1
H H49 1.0881 0.7411 0.2470 0.081 Uiso calc R 1
C C50 0.9434(5) 0.7066(5) 0.2606(3) 0.0497(14) Uani d . 1
C C51 0.8998(4) 0.7011(5) 0.1951(3) 0.0501(15) Uani d . 1
C C52 0.9464(6) 0.7191(7) 0.1401(4) 0.072(2) Uani d . 1
H H52 1.0139 0.7390 0.1422 0.086 Uiso calc R 1
C C53 0.8923(6) 0.7073(8) 0.0823(4) 0.086(3) Uani d . 1
H H53 0.9236 0.7175 0.0445 0.104 Uiso calc R 1
C C54 0.7925(6) 0.6806(7) 0.0790(4) 0.077(2) Uani d . 1
H H54 0.7562 0.6729 0.0395 0.093 Uiso calc R 1
C C55 0.7468(5) 0.6652(5) 0.1354(3) 0.0507(15) Uani d . 1
C C56 0.6402(5) 0.6389(5) 0.1440(3) 0.0515(15) Uani d . 1
C C57 0.5688(5) 0.6230(6) 0.0938(4) 0.0642(19) Uani d . 1
H H57 0.5849 0.6283 0.0512 0.077 Uiso calc R 1
C C58 0.4731(6) 0.5989(6) 0.1088(4) 0.074(2) Uani d . 1
H H58 0.4235 0.5873 0.0758 0.089 Uiso calc R 1
C C59 0.4500(5) 0.5917(6) 0.1722(4) 0.066(2) Uani d . 1
H H59 0.3855 0.5752 0.1826 0.080 Uiso calc R 1
C C60 0.5254(5) 0.6098(5) 0.2195(3) 0.0538(15) Uani d . 1
H H60 0.5106 0.6054 0.2625 0.065 Uiso calc R 1
C C61 0.1844(10) 0.9551(11) 0.1525(7) 0.131(5) Uani d . 1
C C62 0.2378(10) 0.9738(11) 0.0963(7) 0.136(5) Uani d . 1
H H62A 0.3015 0.9607 0.0993 0.205 Uiso d R 1
H H62B 0.2440 1.0400 0.0964 0.205 Uiso d R 1
H H62C 0.2031 0.9332 0.0555 0.205 Uiso d R 1
F F11 0.3301(4) 0.3848(5) 0.0682(3) 0.119(2) Uani d . 1
F F12 0.2561(7) 0.3968(8) 0.1639(5) 0.197(5) Uani d . 1
F F13 0.2405(5) 0.2426(7) 0.1524(5) 0.166(4) Uani d . 1
F F14 0.3120(8) 0.2367(7) 0.0574(6) 0.206(5) Uani d . 1
F F15 0.3859(4) 0.3387(6) 0.1503(3) 0.130(3) Uani d . 1
F F16 0.1809(4) 0.2967(6) 0.0747(3) 0.129(3) Uani d . 1
F F21 0.5986(6) 0.0326(7) 0.5747(4) 0.149(3) Uani d . 1
F F22 0.6604(6) -0.0001(4) 0.4719(3) 0.113(2) Uani d . 1
F F23 0.8034(6) 0.0203(9) 0.5206(4) 0.184(4) Uani d . 1
F F24 0.7447(6) 0.0528(5) 0.6218(3) 0.123(2) Uani d . 1
F F25 0.7226(8) 0.1334(5) 0.5479(4) 0.168(4) Uani d . 1
F F26 0.6799(8) -0.0800(5) 0.5458(3) 0.162(4) Uani d . 1
F F31 0.8351(6) 0.3205(10) -0.1226(4) 0.206(5) Uani d . 1
F F32 0.7038(5) 0.2858(8) -0.0701(4) 0.183(5) Uani d . 1
F F33 0.7890(5) 0.3505(8) 0.0223(3) 0.174(4) Uani d . 1
F F34 0.9127(5) 0.4075(7) -0.0323(4) 0.157(3) Uani d . 1
F F35 0.7673(8) 0.4243(8) -0.0488(11) 0.304(10) Uani d . 1
F F36 0.8546(11) 0.2592(9) -0.0474(9) 0.269(8) Uani d . 1
F F41 0.8457(6) 0.7797(6) 0.5182(4) 0.152(3) Uani d . 1
F F42 0.7670(5) 0.7115(9) 0.5912(4) 0.184(4) Uani d . 1
F F43 0.8981(8) 0.6827(8) 0.6252(5) 0.186(4) Uani d . 1
F F44 0.9753(6) 0.7548(13) 0.5545(6) 0.264(8) Uani d . 1
F F45 0.8903(11) 0.8221(6) 0.6293(5) 0.236(6) Uani d . 1
F F46 0.8550(13) 0.6419(6) 0.5186(5) 0.249(7) Uani d . 1
F F51 0.4019(4) 0.6030(6) 0.3473(4) 0.138(3) Uani d . 1
F F52 0.3325(4) 0.5410(5) 0.4247(3) 0.0992(18) Uani d . 1
F F53 0.1941(4) 0.5869(6) 0.4045(3) 0.116(2) Uani d . 1
F F54 0.2658(6) 0.6500(8) 0.3285(5) 0.199(5) Uani d . 1
F F55 0.2626(6) 0.4985(7) 0.3237(4) 0.153(3) Uani d . 1
F F56 0.3341(7) 0.6859(6) 0.4324(7) 0.214(5) Uani d . 1
F F61 0.4833(6) 0.0345(5) 0.0762(3) 0.127(2) Uani d . 1
F F62 0.5061(7) 0.1027(4) -0.0091(4) 0.152(3) Uani d . 1
F F63 0.6111(4) 0.0318(6) 0.0229(4) 0.131(2) Uani d . 1
F F71 0.9031(6) 0.0317(7) 0.0224(5) 0.164(3) Uani d . 1
F F72 1.0373(8) 0.0383(8) 0.0745(4) 0.191(4) Uani d . 1
F F73 1.0362(9) 0.0982(6) -0.0120(6) 0.227(6) Uani d . 1
N N1 0.8006(4) 0.2138(4) 0.1805(3) 0.0507(12) Uani d . 1
N N2 0.7009(4) 0.1692(4) 0.2757(3) 0.0467(12) Uani d . 1
N N3 0.5274(4) 0.1751(4) 0.2388(3) 0.0526(13) Uani d . 1
N N4 0.6167(4) 0.3392(5) 0.1162(3) 0.0549(14) Uani d . 1
N N5 0.8685(4) 0.4510(4) 0.2155(3) 0.0503(12) Uani d . 1
N N6 0.7995(3) 0.4362(3) 0.3279(2) 0.0421(11) Uani d . 1
N N7 0.6158(4) 0.4128(4) 0.3030(2) 0.0439(11) Uani d . 1
N N8 0.8280(4) 0.9010(4) 0.3372(3) 0.0567(14) Uani d . 1
N N9 0.7176(4) 0.9067(4) 0.2396(3) 0.0517(13) Uani d . 1
N N10 0.5470(4) 0.8447(4) 0.2750(3) 0.0511(12) Uani d . 1
N N11 0.6422(4) 0.7095(5) 0.3970(3) 0.0651(16) Uani d . 1
N N12 0.8774(4) 0.6877(4) 0.3066(3) 0.0492(12) Uani d . 1
N N13 0.8014(4) 0.6745(4) 0.1907(2) 0.0434(11) Uani d . 1
N N14 0.6179(4) 0.6333(4) 0.2066(2) 0.0455(11) Uani d . 1
N N15 0.1438(11) 0.9385(13) 0.1956(7) 0.198(7) Uani d . 1
O O1 0.6131(4) 0.2523(4) 0.1226(3) 0.0703(14) Uani d . 1
O O2 0.5685(5) 0.3518(6) 0.0542(3) 0.105(2) Uani d . 1
O O3 0.6582(3) 0.4170(3) 0.1593(2) 0.0505(10) Uani d . 1
O O4 0.6716(4) 0.6451(3) 0.3534(2) 0.0551(11) Uani d . 1
O O5 0.6432(4) 0.7971(4) 0.3917(3) 0.0757(15) Uani d . 1
O O6 0.6025(6) 0.6805(6) 0.4584(3) 0.117(3) Uani d . 1
P P1 0.28359(14) 0.31449(18) 0.11135(11) 0.0682(5) Uani d . 1
P P2 0.70198(19) 0.02723(16) 0.54697(10) 0.0701(6) Uani d . 1
P P3 0.80942(15) 0.3441(2) -0.05047(11) 0.0729(6) Uani d . 1
P P4 0.87092(17) 0.73181(17) 0.57193(12) 0.0735(6) Uani d . 1
P P5 0.29837(15) 0.59521(18) 0.37584(12) 0.0693(6) Uani d . 1
P P6 0.5000 0.0000 0.0000 0.0582(6) Uani d S 1
P P7 1.0000 0.0000 0.0000 0.0977(13) Uani d S 1
Pd Pd1 0.65777(4) 0.20609(3) 0.19879(2) 0.04358(12) Uani d . 1
Pd Pd2 0.73012(3) 0.42735(3) 0.24547(2) 0.03875(11) Uani d . 1
Pd Pd3 0.68166(4) 0.85813(3) 0.31629(2) 0.04592(12) Uani d . 1
Pd Pd4 0.73706(3) 0.66080(3) 0.27017(2) 0.04043(11) Uani d . 1
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'
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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
N1 C1 C2 . . 120.6(8)
N1 C1 H1 . . 119.7
C2 C1 H1 . . 119.7
C3 C2 C1 . . 121.3(8)
C3 C2 H2 . . 119.4
C1 C2 H2 . . 119.4
C2 C3 C4 . . 118.9(8)
C2 C3 H3 . . 120.6
C4 C3 H3 . . 120.6
C5 C4 C3 . . 119.1(8)
C5 C4 H4 . . 120.5
C3 C4 H4 . . 120.5
N1 C5 C4 . . 120.8(7)
N1 C5 C6 . . 114.4(6)
C4 C5 C6 . . 124.7(7)
N2 C6 C7 . . 119.2(7)
N2 C6 C5 . . 113.2(6)
C7 C6 C5 . . 127.6(7)
C8 C7 C6 . . 118.7(8)
C8 C7 H7 . . 120.6
C6 C7 H7 . . 120.6
C7 C8 C9 . . 122.1(8)
C7 C8 H8 . . 119.0
C9 C8 H8 . . 119.0
C8 C9 C10 . . 118.2(7)
C8 C9 H9 . . 120.9
C10 C9 H9 . . 120.9
N2 C10 C9 . . 118.5(7)
N2 C10 C11 . . 113.0(6)
C9 C10 C11 . . 128.4(7)
N3 C11 C12 . . 121.7(7)
N3 C11 C10 . . 114.5(6)
C12 C11 C10 . . 123.8(7)
C11 C12 C13 . . 118.5(8)
C11 C12 H12 . . 120.8
C13 C12 H12 . . 120.8
C14 C13 C12 . . 120.7(8)
C14 C13 H13 . . 119.6
C12 C13 H13 . . 119.6
C13 C14 C15 . . 118.9(8)
C13 C14 H14 . . 120.6
C15 C14 H14 . . 120.6
N3 C15 C14 . . 121.8(7)
N3 C15 H15 . . 119.1
C14 C15 H15 . . 119.1
N5 C16 C17 . . 121.9(8)
N5 C16 H16 . . 119.1
C17 C16 H16 . . 119.1
C18 C17 C16 . . 119.2(8)
C18 C17 H17 . . 120.4
C16 C17 H17 . . 120.4
C17 C18 C19 . . 120.3(8)
C17 C18 H18 . . 119.9
C19 C18 H18 . . 119.9
C20 C19 C18 . . 118.1(8)
C20 C19 H19 . . 121.0
C18 C19 H19 . . 121.0
N5 C20 C19 . . 120.2(7)
N5 C20 C21 . . 115.8(5)
C19 C20 C21 . . 124.0(7)
N6 C21 C22 . . 119.0(6)
N6 C21 C20 . . 112.2(6)
C22 C21 C20 . . 128.9(6)
C23 C22 C21 . . 117.9(7)
C23 C22 H22 . . 121.1
C21 C22 H22 . . 121.1
C22 C23 C24 . . 122.1(7)
C22 C23 H23 . . 118.9
C24 C23 H23 . . 118.9
C25 C24 C23 . . 118.6(7)
C25 C24 H24 . . 120.7
C23 C24 H24 . . 120.7
N6 C25 C24 . . 119.1(6)
N6 C25 C26 . . 113.3(5)
C24 C25 C26 . . 127.6(6)
N7 C26 C27 . . 120.6(6)
N7 C26 C25 . . 113.9(5)
C27 C26 C25 . . 125.5(6)
C28 C27 C26 . . 119.5(7)
C28 C27 H27 . . 120.2
C26 C27 H27 . . 120.2
C27 C28 C29 . . 120.3(7)
C27 C28 H28 . . 119.9
C29 C28 H28 . . 119.9
C28 C29 C30 . . 118.7(7)
C28 C29 H29 . . 120.6
C30 C29 H29 . . 120.6
N7 C30 C29 . . 121.7(6)
N7 C30 H30 . . 119.2
C29 C30 H30 . . 119.2
N8 C31 C32 . . 120.8(10)
N8 C31 H31 . . 119.6
C32 C31 H31 . . 119.6
C33 C32 C31 . . 119.7(11)
C33 C32 H32 . . 120.1
C31 C32 H32 . . 120.1
C34 C33 C32 . . 119.3(10)
C34 C33 H33 . . 120.4
C32 C33 H33 . . 120.4
C33 C34 C35 . . 119.4(10)
C33 C34 H34 . . 120.3
C35 C34 H34 . . 120.3
N8 C35 C34 . . 120.8(9)
N8 C35 C36 . . 114.9(6)
C34 C35 C36 . . 124.2(9)
N9 C36 C37 . . 117.9(8)
N9 C36 C35 . . 113.0(6)
C37 C36 C35 . . 129.0(8)
C38 C37 C36 . . 118.8(9)
C38 C37 H37 . . 120.6
C36 C37 H37 . . 120.6
C39 C38 C37 . . 121.9(9)
C39 C38 H38 . . 119.1
C37 C38 H38 . . 119.1
C38 C39 C40 . . 118.8(10)
C38 C39 H39 . . 120.6
C40 C39 H39 . . 120.6
N9 C40 C39 . . 118.6(8)
N9 C40 C41 . . 113.7(6)
C39 C40 C41 . . 127.7(8)
N10 C41 C42 . . 121.4(7)
N10 C41 C40 . . 113.7(6)
C42 C41 C40 . . 124.9(7)
C41 C42 C43 . . 119.1(8)
C41 C42 H42 . . 120.4
C43 C42 H42 . . 120.4
C44 C43 C42 . . 119.5(9)
C44 C43 H43 . . 120.2
C42 C43 H43 . . 120.2
C43 C44 C45 . . 119.4(8)
C43 C44 H44 . . 120.3
C45 C44 H44 . . 120.3
N10 C45 C44 . . 122.8(8)
N10 C45 H45 . . 118.6
C44 C45 H45 . . 118.6
N12 C46 C47 . . 121.7(8)
N12 C46 H46 . . 119.2
C47 C46 H46 . . 119.2
C48 C47 C46 . . 119.6(8)
C48 C47 H47 . . 120.2
C46 C47 H47 . . 120.2
C47 C48 C49 . . 120.4(8)
C47 C48 H48 . . 119.8
C49 C48 H48 . . 119.8
C48 C49 C50 . . 118.8(8)
C48 C49 H49 . . 120.6
C50 C49 H49 . . 120.6
N12 C50 C49 . . 120.2(7)
N12 C50 C51 . . 114.5(5)
C49 C50 C51 . . 125.3(7)
N13 C51 C52 . . 118.7(6)
N13 C51 C50 . . 113.3(5)
C52 C51 C50 . . 128.0(6)
C53 C52 C51 . . 119.2(7)
C53 C52 H52 . . 120.4
C51 C52 H52 . . 120.4
C52 C53 C54 . . 121.0(7)
C52 C53 H53 . . 119.5
C54 C53 H53 . . 119.5
C53 C54 C55 . . 119.0(8)
C53 C54 H54 . . 120.5
C55 C54 H54 . . 120.5
N13 C55 C54 . . 118.8(6)
N13 C55 C56 . . 112.9(5)
C54 C55 C56 . . 128.2(6)
N14 C56 C57 . . 121.7(6)
N14 C56 C55 . . 114.2(5)
C57 C56 C55 . . 124.0(6)
C58 C57 C56 . . 117.8(7)
C58 C57 H57 . . 121.1
C56 C57 H57 . . 121.1
C57 C58 C59 . . 120.7(7)
C57 C58 H58 . . 119.7
C59 C58 H58 . . 119.7
C60 C59 C58 . . 117.8(7)
C60 C59 H59 . . 121.1
C58 C59 H59 . . 121.1
N14 C60 C59 . . 122.8(7)
N14 C60 H60 . . 118.6
C59 C60 H60 . . 118.6
N15 C61 C62 . . 178(2)
C61 C62 H62A . . 110.0
C61 C62 H62B . . 109.3
H62A C62 H62B . . 109.4
C61 C62 H62C . . 109.3
H62A C62 H62C . . 109.4
H62B C62 H62C . . 109.4
C1 N1 C5 . . 119.3(6)
C1 N1 Pd1 . . 127.5(5)
C5 N1 Pd1 . . 113.2(4)
C10 N2 C6 . . 123.4(6)
C10 N2 Pd1 . . 118.1(4)
C6 N2 Pd1 . . 117.8(4)
C15 N3 C11 . . 118.4(6)
C15 N3 Pd1 . . 128.5(5)
C11 N3 Pd1 . . 113.1(4)
O3 N4 O1 . . 124.7(5)
O3 N4 O2 . . 115.8(6)
O1 N4 O2 . . 119.5(6)
C16 N5 C20 . . 120.2(6)
C16 N5 Pd2 . . 127.5(5)
C20 N5 Pd2 . . 112.2(4)
C25 N6 C21 . . 123.4(5)
C25 N6 Pd2 . . 117.8(4)
C21 N6 Pd2 . . 118.4(4)
C30 N7 C26 . . 119.2(5)
C30 N7 Pd2 . . 127.3(4)
C26 N7 Pd2 . . 113.5(4)
C31 N8 C35 . . 119.9(7)
C31 N8 Pd3 . . 127.3(6)
C35 N8 Pd3 . . 112.7(5)
C36 N9 C40 . . 124.0(6)
C36 N9 Pd3 . . 117.6(5)
C40 N9 Pd3 . . 117.4(4)
C45 N10 C41 . . 117.7(6)
C45 N10 Pd3 . . 128.6(5)
C41 N10 Pd3 . . 113.6(4)
O4 N11 O5 . . 124.9(6)
O4 N11 O6 . . 116.0(7)
O5 N11 O6 . . 119.1(7)
C46 N12 C50 . . 119.3(6)
C46 N12 Pd4 . . 127.8(5)
C50 N12 Pd4 . . 112.9(4)
C55 N13 C51 . . 123.2(5)
C55 N13 Pd4 . . 118.5(4)
C51 N13 Pd4 . . 118.1(4)
C60 N14 C56 . . 119.1(6)
C60 N14 Pd4 . . 127.7(4)
C56 N14 Pd4 . . 113.2(4)
N4 O1 Pd1 . . 131.5(4)
N4 O3 Pd2 . . 126.5(4)
N11 O4 Pd4 . . 126.9(4)
N11 O5 Pd3 . . 130.4(5)
F14 P1 F12 . . 177.1(7)
F14 P1 F13 . . 92.4(6)
F12 P1 F13 . . 90.5(6)
F14 P1 F16 . . 91.5(6)
F12 P1 F16 . . 88.1(5)
F13 P1 F16 . . 89.8(4)
F14 P1 F15 . . 91.7(6)
F12 P1 F15 . . 88.6(5)
F13 P1 F15 . . 91.5(4)
F16 P1 F15 . . 176.5(5)
F14 P1 F11 . . 85.5(6)
F12 P1 F11 . . 91.7(6)
F13 P1 F11 . . 177.7(5)
F16 P1 F11 . . 91.2(3)
F15 P1 F11 . . 87.7(3)
F25 P2 F26 . . 179.3(7)
F25 P2 F23 . . 90.1(6)
F26 P2 F23 . . 90.5(6)
F25 P2 F21 . . 90.9(5)
F26 P2 F21 . . 88.5(5)
F23 P2 F21 . . 178.8(6)
F25 P2 F22 . . 89.7(4)
F26 P2 F22 . . 89.9(4)
F23 P2 F22 . . 88.1(4)
F21 P2 F22 . . 92.6(4)
F25 P2 F24 . . 91.2(4)
F26 P2 F24 . . 89.2(4)
F23 P2 F24 . . 91.2(4)
F21 P2 F24 . . 88.2(4)
F22 P2 F24 . . 178.8(4)
F35 P3 F31 . . 99.8(10)
F35 P3 F33 . . 90.8(9)
F31 P3 F33 . . 169.3(7)
F35 P3 F36 . . 176.4(11)
F31 P3 F36 . . 83.7(7)
F33 P3 F36 . . 85.7(7)
F35 P3 F34 . . 92.9(7)
F31 P3 F34 . . 88.1(5)
F33 P3 F34 . . 92.9(4)
F36 P3 F34 . . 86.6(7)
F35 P3 F32 . . 83.6(7)
F31 P3 F32 . . 91.2(4)
F33 P3 F32 . . 88.5(4)
F36 P3 F32 . . 96.9(8)
F34 P3 F32 . . 176.3(6)
F46 P4 F44 . . 89.1(9)
F46 P4 F42 . . 92.7(8)
F44 P4 F42 . . 178.2(8)
F46 P4 F45 . . 176.8(8)
F44 P4 F45 . . 90.1(8)
F42 P4 F45 . . 88.1(7)
F46 P4 F41 . . 86.8(6)
F44 P4 F41 . . 87.5(6)
F42 P4 F41 . . 92.7(5)
F45 P4 F41 . . 96.3(6)
F46 P4 F43 . . 92.5(6)
F44 P4 F43 . . 91.5(6)
F42 P4 F43 . . 88.3(5)
F45 P4 F43 . . 84.4(6)
F41 P4 F43 . . 178.8(5)
F56 P5 F55 . . 174.7(6)
F56 P5 F54 . . 93.8(7)
F55 P5 F54 . . 91.3(6)
F56 P5 F52 . . 85.4(6)
F55 P5 F52 . . 89.6(4)
F54 P5 F52 . . 179.1(6)
F56 P5 F51 . . 91.8(6)
F55 P5 F51 . . 89.5(5)
F54 P5 F51 . . 91.8(4)
F52 P5 F51 . . 88.0(3)
F56 P5 F53 . . 88.4(5)
F55 P5 F53 . . 90.4(4)
F54 P5 F53 . . 88.4(3)
F52 P5 F53 . . 91.9(3)
F51 P5 F53 . . 179.8(4)
F62 P6 F62 . 2_655 180.0(8)
F62 P6 F61 . . 91.6(4)
F62 P6 F61 2_655 . 88.4(4)
F62 P6 F61 . 2_655 88.4(4)
F62 P6 F61 2_655 2_655 91.6(4)
F61 P6 F61 . 2_655 180.0(6)
F62 P6 F63 . . 88.0(4)
F62 P6 F63 2_655 . 92.0(4)
F61 P6 F63 . . 85.2(4)
F61 P6 F63 2_655 . 94.8(4)
F62 P6 F63 . 2_655 92.0(4)
F62 P6 F63 2_655 2_655 88.0(4)
F61 P6 F63 . 2_655 94.8(4)
F61 P6 F63 2_655 2_655 85.2(4)
F63 P6 F63 . 2_655 180.0(6)
F73 P7 F73 2_755 . 180.0(9)
F73 P7 F72 2_755 . 88.6(7)
F73 P7 F72 . . 91.4(7)
F73 P7 F72 2_755 2_755 91.4(7)
F73 P7 F72 . 2_755 88.6(7)
F72 P7 F72 . 2_755 180.0(10)
F73 P7 F71 2_755 2_755 87.9(6)
F73 P7 F71 . 2_755 92.1(6)
F72 P7 F71 . 2_755 93.3(5)
F72 P7 F71 2_755 2_755 86.7(5)
F73 P7 F71 2_755 . 92.1(6)
F73 P7 F71 . . 87.9(6)
F72 P7 F71 . . 86.7(5)
F72 P7 F71 2_755 . 93.3(5)
F71 P7 F71 2_755 . 180.0(10)
N2 Pd1 O1 . . 176.5(2)
N2 Pd1 N3 . . 80.9(2)
O1 Pd1 N3 . . 98.5(2)
N2 Pd1 N1 . . 80.5(2)
O1 Pd1 N1 . . 100.3(2)
N3 Pd1 N1 . . 160.9(2)
N2 Pd1 Pd2 . . 100.70(16)
O1 Pd1 Pd2 . . 76.11(15)
N3 Pd1 Pd2 . . 106.22(17)
N1 Pd1 Pd2 . . 81.66(15)
N6 Pd2 O3 . . 179.5(2)
N6 Pd2 N7 . . 81.2(2)
O3 Pd2 N7 . . 98.98(19)
N6 Pd2 N5 . . 81.1(2)
O3 Pd2 N5 . . 98.8(2)
N7 Pd2 N5 . . 162.1(2)
N6 Pd2 Pd1 . . 98.75(15)
O3 Pd2 Pd1 . . 80.84(12)
N7 Pd2 Pd1 . . 81.19(15)
N5 Pd2 Pd1 . . 103.92(15)
N9 Pd3 O5 . . 175.6(2)
N9 Pd3 N10 . . 80.8(2)
O5 Pd3 N10 . . 98.7(2)
N9 Pd3 N8 . . 80.8(3)
O5 Pd3 N8 . . 100.0(3)
N10 Pd3 N8 . . 160.8(2)
N9 Pd3 Pd4 . . 99.25(16)
O5 Pd3 Pd4 . . 76.68(17)
N10 Pd3 Pd4 . . 107.76(16)
N8 Pd3 Pd4 . . 80.80(15)
N13 Pd4 O4 . . 179.0(2)
N13 Pd4 N14 . . 81.1(2)
O4 Pd4 N14 . . 99.6(2)
N13 Pd4 N12 . . 81.0(2)
O4 Pd4 N12 . . 98.3(2)
N14 Pd4 N12 . . 161.9(2)
N13 Pd4 Pd3 . . 100.39(15)
O4 Pd4 Pd3 . . 80.48(14)
N14 Pd4 Pd3 . . 81.66(15)
N12 Pd4 Pd3 . . 103.64(14)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
C1 N1 . 1.337(9)
C1 C2 . 1.379(12)
C1 H1 . 0.9300
C2 C3 . 1.343(14)
C2 H2 . 0.9300
C3 C4 . 1.392(13)
C3 H3 . 0.9300
C4 C5 . 1.375(10)
C4 H4 . 0.9300
C5 N1 . 1.372(9)
C5 C6 . 1.470(9)
C6 N2 . 1.345(8)
C6 C7 . 1.376(10)
C7 C8 . 1.358(12)
C7 H7 . 0.9300
C8 C9 . 1.373(12)
C8 H8 . 0.9300
C9 C10 . 1.395(10)
C9 H9 . 0.9300
C10 N2 . 1.341(8)
C10 C11 . 1.482(10)
C11 N3 . 1.372(8)
C11 C12 . 1.372(10)
C12 C13 . 1.373(12)
C12 H12 . 0.9300
C13 C14 . 1.356(12)
C13 H13 . 0.9300
C14 C15 . 1.387(11)
C14 H14 . 0.9300
C15 N3 . 1.338(9)
C15 H15 . 0.9300
C16 N5 . 1.322(8)
C16 C17 . 1.372(11)
C16 H16 . 0.9300
C17 C18 . 1.357(13)
C17 H17 . 0.9300
C18 C19 . 1.392(13)
C18 H18 . 0.9300
C19 C20 . 1.391(10)
C19 H19 . 0.9300
C20 N5 . 1.361(9)
C20 C21 . 1.466(10)
C21 N6 . 1.351(8)
C21 C22 . 1.388(10)
C22 C23 . 1.369(11)
C22 H22 . 0.9300
C23 C24 . 1.377(11)
C23 H23 . 0.9300
C24 C25 . 1.371(9)
C24 H24 . 0.9300
C25 N6 . 1.340(8)
C25 C26 . 1.480(9)
C26 N7 . 1.361(8)
C26 C27 . 1.382(9)
C27 C28 . 1.362(11)
C27 H27 . 0.9300
C28 C29 . 1.364(11)
C28 H28 . 0.9300
C29 C30 . 1.384(10)
C29 H29 . 0.9300
C30 N7 . 1.340(8)
C30 H30 . 0.9300
C31 N8 . 1.341(10)
C31 C32 . 1.384(13)
C31 H31 . 0.9300
C32 C33 . 1.380(16)
C32 H32 . 0.9300
C33 C34 . 1.376(16)
C33 H33 . 0.9300
C34 C35 . 1.382(11)
C34 H34 . 0.9300
C35 N8 . 1.362(10)
C35 C36 . 1.465(12)
C36 N9 . 1.344(9)
C36 C37 . 1.399(11)
C37 C38 . 1.371(15)
C37 H37 . 0.9300
C38 C39 . 1.361(14)
C38 H38 . 0.9300
C39 C40 . 1.390(10)
C39 H39 . 0.9300
C40 N9 . 1.346(9)
C40 C41 . 1.468(10)
C41 N10 . 1.370(8)
C41 C42 . 1.371(11)
C42 C43 . 1.388(13)
C42 H42 . 0.9300
C43 C44 . 1.353(13)
C43 H43 . 0.9300
C44 C45 . 1.366(11)
C44 H44 . 0.9300
C45 N10 . 1.343(9)
C45 H45 . 0.9300
C46 N12 . 1.343(8)
C46 C47 . 1.383(11)
C46 H46 . 0.9300
C47 C48 . 1.347(13)
C47 H47 . 0.9300
C48 C49 . 1.389(12)
C48 H48 . 0.9300
C49 C50 . 1.392(9)
C49 H49 . 0.9300
C50 N12 . 1.373(8)
C50 C51 . 1.460(9)
C51 N13 . 1.352(8)
C51 C52 . 1.374(10)
C52 C53 . 1.366(12)
C52 H52 . 0.9300
C53 C54 . 1.370(12)
C53 H53 . 0.9300
C54 C55 . 1.383(10)
C54 H54 . 0.9300
C55 N13 . 1.335(8)
C55 C56 . 1.490(9)
C56 N14 . 1.355(8)
C56 C57 . 1.380(9)
C57 C58 . 1.376(11)
C57 H57 . 0.9300
C58 C59 . 1.380(11)
C58 H58 . 0.9300
C59 C60 . 1.373(10)
C59 H59 . 0.9300
C60 N14 . 1.321(8)
C60 H60 . 0.9300
C61 N15 . 1.115(17)
C61 C62 . 1.443(17)
C62 H62A . 0.9602
C62 H62B . 0.9597
C62 H62C . 0.9608
F11 P1 . 1.579(6)
F12 P1 . 1.529(8)
F13 P1 . 1.550(6)
F14 P1 . 1.508(8)
F15 P1 . 1.570(5)
F16 P1 . 1.567(6)
F21 P2 . 1.577(8)
F22 P2 . 1.577(5)
F23 P2 . 1.546(8)
F24 P2 . 1.581(6)
F25 P2 . 1.524(7)
F26 P2 . 1.537(7)
F31 P3 . 1.511(7)
F32 P3 . 1.543(7)
F33 P3 . 1.518(7)
F34 P3 . 1.536(6)
F35 P3 . 1.421(10)
F36 P3 . 1.533(11)
F41 P4 . 1.536(7)
F42 P4 . 1.507(8)
F43 P4 . 1.550(7)
F44 P4 . 1.503(9)
F45 P4 . 1.515(9)
F46 P4 . 1.468(9)
F51 P5 . 1.568(5)
F52 P5 . 1.567(5)
F53 P5 . 1.579(5)
F54 P5 . 1.541(6)
F55 P5 . 1.535(8)
F56 P5 . 1.523(9)
F61 P6 . 1.565(5)
F62 P6 . 1.556(6)
F63 P6 . 1.566(6)
F71 P7 . 1.568(7)
F72 P7 . 1.547(9)
F73 P7 . 1.511(8)
N1 Pd1 . 2.032(5)
N2 Pd1 . 1.939(5)
N3 Pd1 . 2.029(5)
N4 O3 . 1.282(7)
N4 O1 . 1.310(7)
N4 O2 . 1.518(8)
N5 Pd2 . 2.033(5)
N6 Pd2 . 1.920(5)
N7 Pd2 . 2.015(5)
N8 Pd3 . 2.029(6)
N9 Pd3 . 1.930(5)
N10 Pd3 . 2.022(6)
N11 O4 . 1.273(8)
N11 O5 . 1.320(8)
N11 O6 . 1.515(8)
N12 Pd4 . 2.029(5)
N13 Pd4 . 1.919(5)
N14 Pd4 . 2.027(5)
O1 Pd1 . 2.014(5)
O3 Pd2 . 1.999(4)
O4 Pd4 . 2.003(4)
O5 Pd3 . 2.014(5)
P6 F62 2_655 1.556(6)
P6 F61 2_655 1.565(5)
P6 F63 2_655 1.566(6)
P7 F73 2_755 1.511(8)
P7 F72 2_755 1.547(9)
P7 F71 2_755 1.568(7)
Pd1 Pd2 . 3.0940(6)
Pd3 Pd4 . 3.0868(7)
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
C1 H1 F33 . 0.93 2.52 3.313(12) 143.5
C3 H3 F13 1_655 0.93 2.47 3.402(12) 176.1
C7 H7 F44 2_766 0.93 2.45 3.223(13) 140.2
C14 H14 F13 . 0.93 2.54 3.246(11) 132.9
C16 H16 F33 . 0.93 2.32 3.051(11) 134.8
C17 H17 F34 2_765 0.93 2.46 3.291(11) 149.6
C18 H18 F12 1_655 0.93 2.52 3.251(12) 135.4
C22 H22 F43 2_766 0.93 2.45 3.104(11) 127.4
C24 H24 F52 2_666 0.93 2.49 3.367(9) 156.6
C30 H30 F15 . 0.93 2.39 3.192(9) 144.5
C34 H34 N15 1_655 0.93 2.47 3.157(16) 131.2
C38 H38 F71 1_565 0.93 2.33 3.159(12) 147.5
C39 H39 F62 2_665 0.93 2.54 3.474(13) 179.1
C48 H48 F54 1_655 0.93 2.42 3.129(11) 132.8
C52 H52 F31 2_765 0.93 2.46 3.254(11) 142.9
C54 H54 F11 2_665 0.93 2.39 3.304(10) 166.3
C60 H60 F51 . 0.93 2.34 3.188(9) 151.3
