#------------------------------------------------------------------------------
#$Date: 2016-02-20 18:35:30 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176787 $
#$URL: svn://www.crystallography.net/cod/cif/2/21/03/2210336.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_2210336
loop_
_publ_author_name
'Mei, Guang-Quan'
'Ke-Long, Huang'
'Huang, Hai-Ping'
'Li, Yi-Zhi'
_publ_section_title
;
 π-Stacking of
 μ-3,3'-bisacetylacetonato-bis[(2,2'-bipyridine)palladium(II)]
 hexafluorophosphate acetonitrile solvate
;
_journal_coeditor_code           NG2048
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2368
_journal_page_last               m2370
_journal_paper_doi               10.1107/S1600536806033861
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac
'[Pd2 (C10 H12 O4)2 (C10 H8 N2)2] (P F6)2, C2 H3 N'
_chemical_formula_moiety         'C40 H40 N4 O8 Pd2 2+, 2F6 P -, C2 H3 N'
_chemical_formula_sum            'C42 H43 F12 N5 O8 P2 Pd2'
_chemical_formula_weight         1052.36
_chemical_name_systematic
;
μ-3,3'-bisacetylacetonato-bis[(2,2'-bipyridine)palladium(II)]
hexafluorophosphate acetonitrile solvate
;
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 109.70(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   22.070(4)
_cell_length_b                   16.104(3)
_cell_length_c                   23.479(5)
_cell_measurement_reflns_used    3384
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      0.92
_cell_volume                     7856(3)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2001)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        SAINT-Plus
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  PLATON
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker SMART APEX CCD area-detector'
_diffrn_measurement_method       'φ and ω'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0331
_diffrn_reflns_av_sigmaI/netI    0.0615
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            16272
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         1.60
_diffrn_standards_decay_%        <1
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.097
_exptl_absorpt_correction_T_max  0.81
_exptl_absorpt_correction_T_min  0.73
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2001)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.779
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4160
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.619
_refine_diff_density_min         -1.061
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.091
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     521
_refine_ls_number_reflns         8574
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.091
_refine_ls_R_factor_all          0.0810
_refine_ls_R_factor_gt           0.0604
_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)+(0.0717P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1368
_refine_ls_wR_factor_ref         0.1413
_reflns_number_gt                6165
_reflns_number_total             8574
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ng2048.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2210336
_cod_database_fobs_code          2210336
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_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 0.9399(3) -0.1265(3) 0.4121(3) 0.0546(13) Uani d . 1
H H1 0.9203 -0.1275 0.3702 0.065 Uiso calc R 1
C C2 0.9889(3) -0.1818(3) 0.4393(3) 0.0521(13) Uani d . 1
H H2 1.0028 -0.2190 0.4160 0.063 Uiso calc R 1
C C3 1.0169(3) -0.1814(4) 0.5009(3) 0.0522(13) Uani d . 1
H H3 1.0500 -0.2182 0.5199 0.063 Uiso calc R 1
C C4 0.9956(3) -0.1260(3) 0.5346(3) 0.0541(13) Uani d . 1
H H4 1.0141 -0.1255 0.5765 0.065 Uiso calc R 1
C C5 0.9470(2) -0.0713(3) 0.5060(3) 0.0479(12) Uani d . 1
C C6 0.9202(2) -0.0095(3) 0.5372(2) 0.0468(11) Uani d . 1
C C7 0.9407(3) 0.0036(4) 0.5989(2) 0.0533(13) Uani d . 1
H H7 0.9745 -0.0275 0.6245 0.064 Uiso calc R 1
C C8 0.9114(3) 0.0621(4) 0.6222(2) 0.0555(14) Uani d . 1
H H8 0.9247 0.0705 0.6638 0.067 Uiso calc R 1
C C9 0.8621(3) 0.1089(4) 0.5845(3) 0.0590(14) Uani d . 1
H H9 0.8417 0.1490 0.6000 0.071 Uiso calc R 1
C C10 0.8434(3) 0.0951(4) 0.5224(2) 0.0513(12) Uani d . 1
H H10 0.8104 0.1268 0.4964 0.062 Uiso calc R 1
C C11 0.8167(3) -0.0008(4) 0.2236(2) 0.0542(13) Uani d . 1
H H11A 0.8428 -0.0500 0.2320 0.081 Uiso calc R 1
H H11B 0.8373 0.0413 0.2076 0.081 Uiso calc R 1
H H11C 0.7753 -0.0134 0.1945 0.081 Uiso calc R 1
C C12 0.8085(3) 0.0301(4) 0.2809(2) 0.0548(13) Uani d . 1
C C13 0.7677(3) 0.0975(4) 0.2810(2) 0.0551(13) Uani d . 1
C C14 0.7568(3) 0.1256(4) 0.3334(3) 0.0560(13) Uani d . 1
C C15 0.7078(3) 0.1922(4) 0.3299(3) 0.0648(16) Uani d . 1
H H15A 0.7063 0.2028 0.3696 0.097 Uiso calc R 1
H H15B 0.6662 0.1742 0.3038 0.097 Uiso calc R 1
H H15C 0.7197 0.2422 0.3139 0.097 Uiso calc R 1
C C16 0.8237(3) 0.2517(4) 0.2564(3) 0.0640(16) Uani d . 1
H H16A 0.8265 0.3093 0.2471 0.096 Uiso calc R 1
H H16B 0.8612 0.2230 0.2548 0.096 Uiso calc R 1
H H16C 0.8209 0.2465 0.2961 0.096 Uiso calc R 1
C C17 0.7636(3) 0.2137(4) 0.2101(3) 0.0588(15) Uani d . 1
C C18 0.7359(3) 0.1422(4) 0.2223(2) 0.0547(13) Uani d . 1
C C19 0.6780(3) 0.1095(4) 0.1828(2) 0.0553(13) Uani d . 1
C C20 0.6446(3) 0.0388(4) 0.2011(3) 0.0671(18) Uani d . 1
H H20A 0.6001 0.0527 0.1926 0.101 Uiso calc R 1
H H20B 0.6646 0.0285 0.2436 0.101 Uiso calc R 1
H H20C 0.6477 -0.0100 0.1788 0.101 Uiso calc R 1
C C21 0.7475(3) 0.3642(4) 0.0560(3) 0.0580(14) Uani d . 1
H H21 0.7699 0.3681 0.0973 0.070 Uiso calc R 1
C C22 0.7620(3) 0.4170(4) 0.0178(3) 0.0652(16) Uani d . 1
H H22 0.7938 0.4569 0.0330 0.078 Uiso calc R 1
C C23 0.7301(3) 0.4119(5) -0.0427(3) 0.0705(17) Uani d . 1
H H23 0.7403 0.4476 -0.0693 0.085 Uiso calc R 1
C C24 0.6829(3) 0.3535(3) -0.0640(2) 0.0478(12) Uani d . 1
H H24 0.6605 0.3500 -0.1053 0.057 Uiso calc R 1
C C25 0.6679(3) 0.3000(4) -0.0252(2) 0.0519(13) Uani d . 1
C C26 0.6182(3) 0.2378(4) -0.0405(2) 0.0526(13) Uani d . 1
C C27 0.5768(3) 0.2228(4) -0.0993(3) 0.0599(15) Uani d . 1
H H27 0.5811 0.2525 -0.1317 0.072 Uiso calc R 1
C C28 0.5301(3) 0.1641(4) -0.1086(3) 0.0649(16) Uani d . 1
H H28 0.5018 0.1544 -0.1476 0.078 Uiso calc R 1
C C29 0.5242(3) 0.1181(4) -0.0599(3) 0.0678(17) Uani d . 1
H H29 0.4927 0.0777 -0.0654 0.081 Uiso calc R 1
C C30 0.5674(3) 0.1361(4) -0.0037(3) 0.0575(14) Uani d . 1
H H30 0.5651 0.1057 0.0293 0.069 Uiso calc R 1
C C31 0.8989(3) 0.4992(4) 0.1568(3) 0.0669(16) Uani d . 1
C C32 0.9355(3) 0.5599(4) 0.1409(3) 0.0700(18) Uani d . 1
H H32A 0.9540 0.5966 0.1745 0.105 Uiso calc R 1
H H32B 0.9084 0.5911 0.1070 0.105 Uiso calc R 1
H H32C 0.9693 0.5338 0.1302 0.105 Uiso calc R 1
F F1 0.7816(2) 0.3988(3) 0.4042(2) 0.0875(13) Uani d . 1
F F2 0.9077(2) 0.3494(3) 0.5042(2) 0.0956(15) Uani d . 1
F F3 0.8149(2) 0.4013(3) 0.50369(19) 0.0851(13) Uani d . 1
F F4 0.8718(2) 0.3396(3) 0.40779(19) 0.0805(11) Uani d . 1
F F5 0.8673(2) 0.4594(3) 0.4549(2) 0.0855(12) Uani d . 1
F F6 0.8163(2) 0.2862(3) 0.4571(2) 0.0873(13) Uani d . 1
F F7 0.5493(2) 0.2627(3) 0.3170(2) 0.1008(17) Uani d . 1
F F8 0.5405(2) 0.1924(3) 0.2340(2) 0.0921(14) Uani d . 1
F F9 0.5377(2) 0.3347(3) 0.23190(19) 0.0847(13) Uani d . 1
F F10 0.9283(2) 0.1378(3) 0.20278(18) 0.0818(13) Uani d . 1
F F11 1.0269(2) 0.1392(3) 0.19496(18) 0.0763(11) Uani d . 1
F F12 1.0000 0.2364(3) 0.2500 0.0754(15) Uani d S 1
F F13 1.0000 0.0398(4) 0.2500 0.0804(16) Uani d S 1
N N1 0.9201(2) -0.0713(3) 0.44496(19) 0.0448(9) Uani d . 1
N N2 0.87153(19) 0.0374(3) 0.49961(18) 0.0432(9) Uani d . 1
N N3 0.70185(19) 0.3064(3) 0.03589(19) 0.0426(9) Uani d . 1
N N4 0.6112(2) 0.1930(3) 0.0059(2) 0.0543(11) Uani d . 1
N N5 0.8656(2) 0.4525(3) 0.1661(2) 0.0563(12) Uani d . 1
O O1 0.8409(2) -0.0135(2) 0.32697(17) 0.0540(9) Uani d . 1
O O2 0.78393(19) 0.0986(3) 0.38742(16) 0.0525(9) Uani d . 1
O O3 0.7459(2) 0.2565(3) 0.16091(18) 0.0587(10) Uani d . 1
O O4 0.6461(2) 0.1362(3) 0.12907(17) 0.0579(10) Uani d . 1
P P1 0.84452(8) 0.37264(11) 0.45477(8) 0.0624(4) Uani d . 1
P P2 0.5000 0.26347(15) 0.2500 0.0622(6) Uani d S 1
P P3 1.0000 0.13821(16) 0.2500 0.0657(6) Uani d S 1
Pd Pd1 0.850980(18) 0.01366(2) 0.411300(16) 0.04146(12) Uani d . 1
Pd Pd2 0.67660(2) 0.22273(2) 0.086740(17) 0.04501(12) Uani d . 1
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'
F F 0.0171 0.0103 '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'
P P 0.1023 0.0942 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
N1 C1 C2 . . 121.0(6) ?
N1 C1 H1 . . 119.5 ?
C2 C1 H1 . . 119.5 ?
C3 C2 C1 . . 119.4(5) ?
C3 C2 H2 . . 120.3 ?
C1 C2 H2 . . 120.3 ?
C2 C3 C4 . . 119.4(5) ?
C2 C3 H3 . . 120.3 ?
C4 C3 H3 . . 120.3 ?
C3 C4 C5 . . 119.7(6) ?
C3 C4 H4 . . 120.1 ?
C5 C4 H4 . . 120.1 ?
N1 C5 C4 . . 120.5(6) ?
N1 C5 C6 . . 114.9(4) ?
C4 C5 C6 . . 124.6(5) ?
N2 C6 C7 . . 120.2(5) ?
N2 C6 C5 . . 114.3(5) ?
C7 C6 C5 . . 125.5(5) ?
C8 C7 C6 . . 119.7(5) ?
C8 C7 H7 . . 120.1 ?
C6 C7 H7 . . 120.1 ?
C7 C8 C9 . . 120.1(5) ?
C7 C8 H8 . . 120.0 ?
C9 C8 H8 . . 120.0 ?
C8 C9 C10 . . 118.7(6) ?
C8 C9 H9 . . 120.7 ?
C10 C9 H9 . . 120.7 ?
N2 C10 C9 . . 121.3(5) ?
N2 C10 H10 . . 119.3 ?
C9 C10 H10 . . 119.3 ?
C12 C11 H11A . . 109.5 ?
C12 C11 H11B . . 109.5 ?
H11A C11 H11B . . 109.5 ?
C12 C11 H11C . . 109.5 ?
H11A C11 H11C . . 109.5 ?
H11B C11 H11C . . 109.5 ?
O1 C12 C13 . . 126.5(5) ?
O1 C12 C11 . . 111.8(5) ?
C13 C12 C11 . . 121.7(5) ?
C14 C13 C12 . . 123.2(5) ?
C14 C13 C18 . . 118.9(5) ?
C12 C13 C18 . . 117.9(5) ?
O2 C14 C13 . . 126.5(5) ?
O2 C14 C15 . . 112.5(5) ?
C13 C14 C15 . . 120.9(5) ?
C14 C15 H15A . . 109.5 ?
C14 C15 H15B . . 109.5 ?
H15A C15 H15B . . 109.5 ?
C14 C15 H15C . . 109.5 ?
H15A C15 H15C . . 109.5 ?
H15B C15 H15C . . 109.5 ?
C17 C16 H16A . . 109.5 ?
C17 C16 H16B . . 109.5 ?
H16A C16 H16B . . 109.5 ?
C17 C16 H16C . . 109.5 ?
H16A C16 H16C . . 109.5 ?
H16B C16 H16C . . 109.5 ?
O3 C17 C18 . . 127.8(6) ?
O3 C17 C16 . . 110.5(6) ?
C18 C17 C16 . . 121.7(5) ?
C17 C18 C19 . . 123.1(5) ?
C17 C18 C13 . . 119.2(5) ?
C19 C18 C13 . . 117.7(5) ?
O4 C19 C18 . . 126.4(5) ?
O4 C19 C20 . . 112.0(5) ?
C18 C19 C20 . . 121.6(5) ?
C19 C20 H20A . . 109.5 ?
C19 C20 H20B . . 109.5 ?
H20A C20 H20B . . 109.5 ?
C19 C20 H20C . . 109.5 ?
H20A C20 H20C . . 109.5 ?
H20B C20 H20C . . 109.5 ?
N3 C21 C22 . . 121.6(6) ?
N3 C21 H21 . . 119.2 ?
C22 C21 H21 . . 119.2 ?
C21 C22 C23 . . 120.1(7) ?
C21 C22 H22 . . 119.9 ?
C23 C22 H22 . . 119.9 ?
C22 C23 C24 . . 119.0(6) ?
C22 C23 H23 . . 120.5 ?
C24 C23 H23 . . 120.5 ?
C23 C24 C25 . . 121.0(6) ?
C23 C24 H24 . . 119.5 ?
C25 C24 H24 . . 119.5 ?
C24 C25 N3 . . 118.3(6) ?
C24 C25 C26 . . 127.2(5) ?
N3 C25 C26 . . 114.4(5) ?
N4 C26 C27 . . 119.2(6) ?
N4 C26 C25 . . 116.9(5) ?
C27 C26 C25 . . 123.9(5) ?
C28 C27 C26 . . 119.2(6) ?
C28 C27 H27 . . 120.4 ?
C26 C27 H27 . . 120.4 ?
C27 C28 C29 . . 120.5(6) ?
C27 C28 H28 . . 119.8 ?
C29 C28 H28 . . 119.8 ?
C30 C29 C28 . . 116.5(7) ?
C30 C29 H29 . . 121.7 ?
C28 C29 H29 . . 121.7 ?
N4 C30 C29 . . 123.5(6) ?
N4 C30 H30 . . 118.3 ?
C29 C30 H30 . . 118.3 ?
N5 C31 C32 . . 174.8(8) ?
C31 C32 H32A . . 109.5 ?
C31 C32 H32B . . 109.5 ?
H32A C32 H32B . . 109.5 ?
C31 C32 H32C . . 109.5 ?
H32A C32 H32C . . 109.5 ?
H32B C32 H32C . . 109.5 ?
C1 N1 C5 . . 119.8(5) ?
C1 N1 Pd1 . . 125.2(4) ?
C5 N1 Pd1 . . 114.9(4) ?
C10 N2 C6 . . 120.0(5) ?
C10 N2 Pd1 . . 125.3(4) ?
C6 N2 Pd1 . . 114.7(4) ?
C21 N3 C25 . . 120.0(5) ?
C21 N3 Pd2 . . 126.0(4) ?
C25 N3 Pd2 . . 114.0(4) ?
C30 N4 C26 . . 121.1(5) ?
C30 N4 Pd2 . . 126.0(4) ?
C26 N4 Pd2 . . 112.9(4) ?
C12 O1 Pd1 . . 124.6(4) ?
C14 O2 Pd1 . . 125.3(4) ?
C17 O3 Pd2 . . 123.7(4) ?
C19 O4 Pd2 . . 124.3(4) ?
F5 P1 F4 . . 96.5(3) ?
F5 P1 F2 . . 90.4(3) ?
F4 P1 F2 . . 88.9(3) ?
F5 P1 F6 . . 174.6(3) ?
F4 P1 F6 . . 88.5(3) ?
F2 P1 F6 . . 91.6(3) ?
F5 P1 F1 . . 87.8(3) ?
F4 P1 F1 . . 90.6(3) ?
F2 P1 F1 . . 178.1(3) ?
F6 P1 F1 . . 90.3(3) ?
F5 P1 F3 . . 87.0(3) ?
F4 P1 F3 . . 176.5(3) ?
F2 P1 F3 . . 90.8(3) ?
F6 P1 F3 . . 88.0(3) ?
F1 P1 F3 . . 89.7(2) ?
F9 P2 F9 . 2_655 85.2(4) ?
F9 P2 F8 . 2_655 177.7(2) ?
F9 P2 F8 2_655 2_655 94.1(3) ?
F9 P2 F8 . . 94.1(3) ?
F9 P2 F8 2_655 . 177.7(2) ?
F8 P2 F8 2_655 . 86.6(4) ?
F9 P2 F7 . 2_655 89.2(3) ?
F9 P2 F7 2_655 2_655 91.4(3) ?
F8 P2 F7 2_655 2_655 88.6(3) ?
F8 P2 F7 . 2_655 90.7(3) ?
F9 P2 F7 . . 91.4(3) ?
F9 P2 F7 2_655 . 89.2(3) ?
F8 P2 F7 2_655 . 90.7(3) ?
F8 P2 F7 . . 88.6(3) ?
F7 P2 F7 2_655 . 179.1(4) ?
F12 P3 F13 . . 180.0000(10) ?
F12 P3 F11 . 2_755 89.40(17) ?
F13 P3 F11 . 2_755 90.60(17) ?
F12 P3 F11 . . 89.40(17) ?
F13 P3 F11 . . 90.60(17) ?
F11 P3 F11 2_755 . 178.8(3) ?
F12 P3 F10 . . 90.21(18) ?
F13 P3 F10 . . 89.79(18) ?
F11 P3 F10 2_755 . 90.6(2) ?
F11 P3 F10 . . 89.4(2) ?
F12 P3 F10 . 2_755 90.21(18) ?
F13 P3 F10 . 2_755 89.79(18) ?
F11 P3 F10 2_755 2_755 89.4(2) ?
F11 P3 F10 . 2_755 90.6(2) ?
F10 P3 F10 . 2_755 179.6(4) ?
N1 Pd1 N2 . . 81.12(18) yes
N1 Pd1 O1 . . 93.32(17) yes
N1 Pd1 O2 . . 173.83(16) yes
N2 Pd1 O1 . . 173.59(17) yes
N2 Pd1 O2 . . 92.78(16) yes
N3 Pd2 O3 . . 92.97(18) yes
N3 Pd2 O4 . . 174.35(18) yes
N3 Pd2 N4 . . 81.59(19) yes
N4 Pd2 O3 . . 174.05(19) yes
N4 Pd2 O4 . . 92.80(18) yes
O1 Pd1 O2 . . 92.82(15) yes
O3 Pd2 O4 . . 92.62(17) yes
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
C1 N1 . 1.343(7) ?
C1 C2 . 1.380(8) ?
C1 H1 . 0.9300 ?
C2 C3 . 1.368(8) ?
C2 H2 . 0.9300 ?
C3 C4 . 1.374(8) ?
C3 H3 . 0.9300 ?
C4 C5 . 1.377(7) ?
C4 H4 . 0.9300 ?
C5 N1 . 1.354(7) ?
C5 C6 . 1.473(8) ?
C6 N2 . 1.366(7) ?
C6 C7 . 1.381(8) ?
C7 C8 . 1.359(9) ?
C7 H7 . 0.9300 ?
C8 C9 . 1.374(9) ?
C8 H8 . 0.9300 ?
C9 C10 . 1.392(8) ?
C9 H9 . 0.9300 ?
C10 N2 . 1.325(7) ?
C10 H10 . 0.9300 ?
C11 C12 . 1.503(7) ?
C11 H11A . 0.9600 ?
C11 H11B . 0.9600 ?
C11 H11C . 0.9600 ?
C12 O1 . 1.285(7) ?
C12 C13 . 1.411(9) ?
C13 C14 . 1.404(8) ?
C13 C18 . 1.504(7) ?
C14 O2 . 1.284(7) ?
C14 C15 . 1.505(8) ?
C15 H15A . 0.9600 ?
C15 H15B . 0.9600 ?
C15 H15C . 0.9600 ?
C16 C17 . 1.530(8) ?
C16 H16A . 0.9600 ?
C16 H16B . 0.9600 ?
C16 H16C . 0.9600 ?
C17 O3 . 1.287(7) ?
C17 C18 . 1.377(9) ?
C18 C19 . 1.405(8) ?
C19 O4 . 1.294(6) ?
C19 C20 . 1.495(8) ?
C20 H20A . 0.9600 ?
C20 H20B . 0.9600 ?
C20 H20C . 0.9600 ?
C21 N3 . 1.335(8) ?
C21 C22 . 1.350(9) ?
C21 H21 . 0.9300 ?
C22 C23 . 1.359(9) ?
C22 H22 . 0.9300 ?
C23 C24 . 1.368(9) ?
C23 H23 . 0.9300 ?
C24 C25 . 1.372(8) ?
C24 H24 . 0.9300 ?
C25 N3 . 1.380(7) ?
C25 C26 . 1.438(9) ?
C26 N4 . 1.360(7) ?
C26 C27 . 1.395(8) ?
C27 C28 . 1.361(10) ?
C27 H27 . 0.9300 ?
C28 C29 . 1.406(10) ?
C28 H28 . 0.9300 ?
C29 C30 . 1.374(9) ?
C29 H29 . 0.9300 ?
C30 N4 . 1.295(8) ?
C30 H30 . 0.9300 ?
C31 N5 . 1.122(8) ?
C31 C32 . 1.398(10) ?
C32 H32A . 0.9600 ?
C32 H32B . 0.9600 ?
C32 H32C . 0.9600 ?
F1 P1 . 1.550(4) ?
F2 P1 . 1.529(4) ?
F3 P1 . 1.570(4) ?
F4 P1 . 1.520(4) ?
F5 P1 . 1.485(5) ?
F6 P1 . 1.534(5) ?
F7 P2 . 1.582(4) ?
F8 P2 . 1.573(4) ?
F9 P2 . 1.557(4) ?
F10 P3 . 1.598(4) ?
F11 P3 . 1.593(4) ?
F12 P3 . 1.582(6) ?
F13 P3 . 1.585(6) ?
N1 Pd1 . 2.003(4) yes
N2 Pd1 . 2.004(4) yes
N3 Pd2 . 2.000(4) yes
N4 Pd2 . 2.017(5) yes
O1 Pd1 . 1.966(4) yes
O2 Pd1 . 1.953(4) yes
O3 Pd2 . 1.968(4) yes
O4 Pd2 . 1.958(4) yes
P2 F9 2_655 1.557(4) ?
P2 F8 2_655 1.573(4) ?
P2 F7 2_655 1.582(4) ?
P3 F11 2_755 1.593(4) ?
P3 F10 2_755 1.598(4) ?
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
_geom_hbond_publ_flag
C3 H3 F2 5_756 0.93 2.45 3.200(8) 137.7 yes
C7 H7 F11 6_556 0.93 2.45 3.332(7) 157.3 yes
C21 H21 N5 . 0.93 2.57 3.310(8) 136.5 yes
C22 H22 F3 6_565 0.93 2.47 3.209(8) 136.2 yes
C24 H24 F10 7_655 0.93 2.47 3.357(6) 159.8 yes
C27 H27 F10 7_655 0.93 2.39 3.282(8) 160.4 yes
