#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:23:56 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179788 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/84/7008458.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_7008458
loop_
_publ_author_name
'Ruiz, José'
'Vicente, Consuelo'
'Cutillas, Natalia'
'Pérez, José'
_publ_section_title
;
 Pentafluorophenyl imidato palladium(II) complexes: catalysts for
 Suzuki cross-coupling reactions.
;
_journal_issue                   11
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1999
_journal_page_last               2006
_journal_paper_doi               10.1039/b503101j
_journal_year                    2005
_chemical_formula_sum            'C33 H41 Cl3 F10 N6 O6 Pd2'
_chemical_formula_weight         1126.87
_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                 107.000(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.2880(10)
_cell_length_b                   14.3170(10)
_cell_length_c                   20.7880(10)
_cell_measurement_reflns_used    47
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      12.41
_cell_measurement_theta_min      6.48
_cell_volume                     4351.2(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.000
_diffrn_measured_fraction_theta_max 0.998
_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  0.0346
_diffrn_reflns_av_sigmaI/netI    0.0735
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       4
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            10391
_diffrn_reflns_theta_full        0.50
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.02
_exptl_absorpt_coefficient_mu    1.102
_exptl_absorpt_correction_T_max  0.8884
_exptl_absorpt_correction_T_min  0.6311
_exptl_absorpt_correction_type   semiempirical
_exptl_absorpt_process_details   PSI-SCAN
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.720
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2248
_exptl_crystal_size_max          0.46
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.11
_refine_diff_density_max         1.853
_refine_diff_density_min         -1.336
_refine_diff_density_rms         0.110
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.774
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     585
_refine_ls_number_reflns         7639
_refine_ls_number_restraints     35
_refine_ls_restrained_S_all      0.831
_refine_ls_R_factor_all          0.0740
_refine_ls_R_factor_gt           0.0450
_refine_ls_shift/su_max          0.203
_refine_ls_shift/su_mean         0.007
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1030P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1154
_refine_ls_wR_factor_ref         0.1309
_reflns_number_gt                5268
_reflns_number_total             7639
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b503101j.txt
_cod_data_source_block           complex_3
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7008458
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
Pd1 Pd 0.02353(3) 0.15907(3) 0.28719(2) 0.01899(14) Uani 1 1 d . . .
F4 F -0.1147(3) -0.0195(3) 0.46197(18) 0.0376(10) Uani 1 1 d . . .
F2 F -0.0590(3) 0.3028(3) 0.50011(18) 0.0438(10) Uani 1 1 d . . .
F5 F -0.0545(2) -0.0112(2) 0.35419(18) 0.0310(8) Uani 1 1 d . . .
C1 C -0.0213(4) 0.1513(4) 0.3687(3) 0.0241(13) Uani 1 1 d . . .
F3 F -0.1200(3) 0.1369(3) 0.53521(19) 0.0448(11) Uani 1 1 d . . .
F1 F 0.0047(3) 0.3122(3) 0.39329(18) 0.0356(9) Uani 1 1 d . . .
C2 C -0.0240(4) 0.2278(4) 0.4086(3) 0.0264(14) Uani 1 1 d . . .
C4 C -0.0875(4) 0.1415(5) 0.4819(3) 0.0316(15) Uani 1 1 d . . .
C3 C -0.0568(4) 0.2252(5) 0.4639(3) 0.0299(15) Uani 1 1 d . . .
C5 C -0.0862(4) 0.0634(5) 0.4438(3) 0.0285(15) Uani 1 1 d . . .
C6 C -0.0547(4) 0.0691(4) 0.3885(3) 0.0253(14) Uani 1 1 d . . .
Pd2 Pd 0.48422(3) 0.38925(3) 0.22467(2) 0.01928(14) Uani 1 1 d . . .
O2 O -0.0814(3) 0.3647(3) 0.2427(2) 0.0360(11) Uani 1 1 d . . .
O1 O -0.1788(3) 0.0646(3) 0.2094(3) 0.0432(13) Uani 1 1 d . . .
N1 N -0.1018(3) 0.2049(4) 0.2342(2) 0.0237(11) Uani 1 1 d . . .
C7 C -0.1765(4) 0.1485(5) 0.2072(3) 0.0290(15) Uani 1 1 d . . .
C10 C -0.1289(4) 0.2966(4) 0.2243(3) 0.0261(14) Uani 1 1 d . . .
C8 C -0.2573(4) 0.2098(5) 0.1742(3) 0.0345(16) Uani 1 1 d . . .
H8 H -0.3173 0.1896 0.1507 0.041 Uiso 1 1 calc R . .
C9 C -0.2281(4) 0.2977(5) 0.1843(3) 0.0367(16) Uani 1 1 d . . .
H9 H -0.2639 0.3519 0.1689 0.044 Uiso 1 1 calc R . .
N2 N 0.1549(3) 0.1146(4) 0.3388(2) 0.0247(11) Uani 1 1 d . . .
N3 N 0.0725(3) 0.1623(3) 0.2011(2) 0.0235(11) Uani 1 1 d . . .
C14 C 0.1731(4) 0.1567(5) 0.2287(3) 0.0323(15) Uani 1 1 d . . .
H14A H 0.1980 0.2191 0.2447 0.039 Uiso 1 1 calc R . .
H14B H 0.1998 0.1366 0.1930 0.039 Uiso 1 1 calc R . .
C11 C 0.1578(4) 0.0321(4) 0.3819(3) 0.0291(15) Uani 1 1 d . . .
H11A H 0.1231 -0.0190 0.3547 0.044 Uiso 1 1 calc R . .
H11B H 0.1308 0.0480 0.4178 0.044 Uiso 1 1 calc R . .
H11C H 0.2215 0.0127 0.4017 0.044 Uiso 1 1 calc R . .
C15 C 0.0350(5) 0.0801(5) 0.1585(3) 0.0365(16) Uani 1 1 d . . .
H15A H -0.0317 0.0857 0.1412 0.055 Uiso 1 1 calc R . .
H15B H 0.0507 0.0230 0.1853 0.055 Uiso 1 1 calc R . .
H15C H 0.0611 0.0774 0.1207 0.055 Uiso 1 1 calc R . .
C13 C 0.1988(4) 0.0881(5) 0.2861(3) 0.0332(16) Uani 1 1 d . . .
H13A H 0.1788 0.0246 0.2692 0.040 Uiso 1 1 calc R . .
H13B H 0.2661 0.0872 0.3058 0.040 Uiso 1 1 calc R . .
C16 C 0.0494(5) 0.2485(5) 0.1593(3) 0.0349(16) Uani 1 1 d . . .
H16A H -0.0172 0.2535 0.1406 0.052 Uiso 1 1 calc R . .
H16B H 0.0774 0.2455 0.1226 0.052 Uiso 1 1 calc R . .
H16C H 0.0726 0.3033 0.1874 0.052 Uiso 1 1 calc R . .
C12 C 0.2070(4) 0.1917(5) 0.3812(4) 0.0378(17) Uani 1 1 d . . .
H12A H 0.2049 0.2474 0.3533 0.057 Uiso 1 1 calc R . .
H12B H 0.2707 0.1725 0.4010 0.057 Uiso 1 1 calc R . .
H12C H 0.1795 0.2061 0.4172 0.057 Uiso 1 1 calc R . .
F8 F 0.6115(3) 0.3423(4) -0.0299(2) 0.0602(14) Uani 1 1 d . . .
F6 F 0.4870(3) 0.2131(3) 0.1307(2) 0.0418(10) Uani 1 1 d . . .
F10 F 0.5622(3) 0.5340(3) 0.13845(19) 0.0362(9) Uani 1 1 d . . .
N4 N 0.6109(3) 0.3514(3) 0.2800(2) 0.0216(11) Uani 1 1 d . . .
N5 N 0.4406(3) 0.4089(4) 0.3120(2) 0.0253(12) Uani 1 1 d . . .
F7 F 0.5461(3) 0.1933(3) 0.0230(2) 0.0576(13) Uani 1 1 d . . .
F9 F 0.6168(3) 0.5143(3) 0.02919(19) 0.0461(11) Uani 1 1 d . . .
O3 O 0.5913(3) 0.1913(3) 0.2788(2) 0.0375(12) Uani 1 1 d . . .
C17 C 0.5225(4) 0.3737(5) 0.1402(3) 0.0251(14) Uani 1 1 d . . .
N6 N 0.3505(3) 0.4242(4) 0.1709(2) 0.0254(11) Uani 1 1 d . . .
O4 O 0.6866(3) 0.4929(3) 0.3028(3) 0.0401(12) Uani 1 1 d . . .
C28 C 0.3025(4) 0.3408(5) 0.1353(3) 0.0351(16) Uani 1 1 d . . .
H28A H 0.3333 0.3190 0.1029 0.053 Uiso 1 1 calc R . .
H28B H 0.2390 0.3571 0.1116 0.053 Uiso 1 1 calc R . .
H28C H 0.3035 0.2912 0.1680 0.053 Uiso 1 1 calc R . .
C18 C 0.5201(4) 0.2898(5) 0.1070(3) 0.0291(15) Uani 1 1 d . . .
C26 C 0.6841(4) 0.4087(5) 0.3080(3) 0.0262(14) Uani 1 1 d . . .
C27 C 0.3445(4) 0.5007(5) 0.1215(3) 0.0309(15) Uani 1 1 d . . .
H27A H 0.3760 0.5561 0.1448 0.046 Uiso 1 1 calc R . .
H27B H 0.2801 0.5157 0.0996 0.046 Uiso 1 1 calc R . .
H27C H 0.3734 0.4807 0.0875 0.046 Uiso 1 1 calc R . .
C24 C 0.7366(4) 0.2625(5) 0.3388(3) 0.0349(16) Uani 1 1 d . . .
H24 H 0.7728 0.2097 0.3573 0.042 Uiso 1 1 calc R . .
C31 C 0.4710(5) 0.3365(5) 0.3649(3) 0.0382(17) Uani 1 1 d . . .
H31A H 0.4508 0.2749 0.3457 0.057 Uiso 1 1 calc R . .
H31B H 0.4446 0.3495 0.4016 0.057 Uiso 1 1 calc R . .
H31C H 0.5379 0.3374 0.3823 0.057 Uiso 1 1 calc R . .
C25 C 0.7627(5) 0.3482(5) 0.3462(3) 0.0364(17) Uani 1 1 d . . .
H25 H 0.8216 0.3696 0.3715 0.044 Uiso 1 1 calc R . .
C19 C 0.5493(5) 0.2785(5) 0.0513(3) 0.0407(18) Uani 1 1 d . . .
C23 C 0.6385(4) 0.2604(5) 0.2956(3) 0.0270(14) Uani 1 1 d . . .
C21 C 0.5860(4) 0.4392(5) 0.0551(3) 0.0291(15) Uani 1 1 d . . .
C30 C 0.3381(4) 0.4042(5) 0.2851(3) 0.0350(16) Uani 1 1 d . . .
H30A H 0.3186 0.3383 0.2768 0.042 Uiso 1 1 calc R . .
H30B H 0.3104 0.4300 0.3188 0.042 Uiso 1 1 calc R . .
C22 C 0.5571(4) 0.4475(5) 0.1118(3) 0.0260(14) Uani 1 1 d . . .
C29 C 0.3058(4) 0.4586(5) 0.2212(3) 0.0340(16) Uani 1 1 d . . .
H29A H 0.2386 0.4524 0.2027 0.041 Uiso 1 1 calc R . .
H29B H 0.3203 0.5255 0.2305 0.041 Uiso 1 1 calc R . .
C32 C 0.4709(5) 0.5017(5) 0.3409(3) 0.0372(17) Uani 1 1 d . . .
H32A H 0.4513 0.5494 0.3059 0.056 Uiso 1 1 calc R . .
H32B H 0.5378 0.5024 0.3588 0.056 Uiso 1 1 calc R . .
H32C H 0.4439 0.5147 0.3773 0.056 Uiso 1 1 calc R . .
C20 C 0.5823(5) 0.3530(6) 0.0244(3) 0.0386(18) Uani 1 1 d . . .
O5 O 0.3913(4) 0.1715(4) 0.2442(3) 0.0413(13) Uani 1 1 d D . .
H5A H 0.448(4) 0.178(6) 0.256(4) 0.06(3) Uiso 1 1 d D . .
H5B H 0.382(8) 0.117(5) 0.230(6) 0.12(5) Uiso 1 1 d D . .
O6 O 0.1174(4) 0.3867(4) 0.3077(3) 0.0427(13) Uani 1 1 d D . .
H6A H 0.070(5) 0.373(7) 0.280(4) 0.09(4) Uiso 1 1 d D . .
H6B H 0.124(6) 0.439(4) 0.295(4) 0.05(3) Uiso 1 1 d D . .
C33 C 0.2145(4) 0.4423(4) 0.4676(3) 0.085(4) Uani 1 1 d D . .
H33 H 0.1883 0.4214 0.4200 0.101 Uiso 1 1 calc R A 1
Cl1 Cl 0.2694(5) 0.5525(5) 0.4707(3) 0.135(3) Uani 0.625(7) 1 d PDU B 1
Cl2 Cl 0.1297(3) 0.4706(5) 0.5014(2) 0.115(3) Uani 0.625(7) 1 d PD B 1
Cl3 Cl 0.2995(6) 0.3698(5) 0.5094(4) 0.163(4) Uani 0.625(7) 1 d PDU B 1
Cl1' Cl 0.2030(10) 0.5572(6) 0.4882(7) 0.193(7) Uani 0.375(7) 1 d PDU B 2
Cl2' Cl 0.1788(7) 0.3684(8) 0.5255(4) 0.126(4) Uani 0.375(7) 1 d PDU B 2
Cl3' Cl 0.3299(4) 0.4141(9) 0.4826(4) 0.129(6) Uani 0.375(7) 1 d PD 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'
F F 0.0171 0.0103 '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'
Cl Cl 0.1484 0.1585 '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
_geom_angle_publ_flag
C1 Pd1 N1 88.6(2) . . ?
C1 Pd1 N2 93.7(2) . . ?
N1 Pd1 N2 177.6(2) . . ?
C1 Pd1 N3 178.0(2) . . ?
N1 Pd1 N3 92.59(19) . . ?
N2 Pd1 N3 85.21(19) . . ?
C2 C1 C6 114.5(6) . . ?
C2 C1 Pd1 122.7(5) . . ?
C6 C1 Pd1 122.8(5) . . ?
F1 C2 C1 119.8(5) . . ?
F1 C2 C3 116.1(6) . . ?
C1 C2 C3 124.1(6) . . ?
F3 C4 C5 120.4(6) . . ?
F3 C4 C3 120.3(6) . . ?
C5 C4 C3 119.3(6) . . ?
F2 C3 C4 120.0(6) . . ?
F2 C3 C2 121.2(6) . . ?
C4 C3 C2 118.9(6) . . ?
F4 C5 C4 119.6(6) . . ?
F4 C5 C6 120.4(6) . . ?
C4 C5 C6 120.1(6) . . ?
F5 C6 C5 116.4(6) . . ?
F5 C6 C1 120.4(5) . . ?
C5 C6 C1 123.2(6) . . ?
N4 Pd2 C17 89.5(2) . . ?
N4 Pd2 N6 177.0(2) . . ?
C17 Pd2 N6 92.8(2) . . ?
N4 Pd2 N5 92.2(2) . . ?
C17 Pd2 N5 178.1(2) . . ?
N6 Pd2 N5 85.6(2) . . ?
C10 N1 C7 108.8(5) . . ?
C10 N1 Pd1 126.0(4) . . ?
C7 N1 Pd1 125.0(4) . . ?
O1 C7 N1 126.9(6) . . ?
O1 C7 C8 124.7(6) . . ?
N1 C7 C8 108.4(6) . . ?
O2 C10 N1 126.6(6) . . ?
O2 C10 C9 125.6(6) . . ?
N1 C10 C9 107.7(5) . . ?
C9 C8 C7 106.6(6) . . ?
C8 C9 C10 108.4(6) . . ?
C11 N2 C12 108.5(5) . . ?
C11 N2 C13 107.6(5) . . ?
C12 N2 C13 110.2(5) . . ?
C11 N2 Pd1 114.3(4) . . ?
C12 N2 Pd1 110.2(4) . . ?
C13 N2 Pd1 105.9(4) . . ?
C14 N3 C15 111.4(5) . . ?
C14 N3 C16 108.2(5) . . ?
C15 N3 C16 108.9(5) . . ?
C14 N3 Pd1 104.7(4) . . ?
C15 N3 Pd1 108.4(4) . . ?
C16 N3 Pd1 115.1(4) . . ?
N3 C14 C13 110.1(5) . . ?
N2 C13 C14 110.3(5) . . ?
C26 N4 C23 108.1(5) . . ?
C26 N4 Pd2 127.5(4) . . ?
C23 N4 Pd2 124.4(4) . . ?
C32 N5 C31 109.4(5) . . ?
C32 N5 C30 111.2(5) . . ?
C31 N5 C30 108.1(5) . . ?
C32 N5 Pd2 109.1(4) . . ?
C31 N5 Pd2 115.6(4) . . ?
C30 N5 Pd2 103.3(4) . . ?
C18 C17 C22 114.0(6) . . ?
C18 C17 Pd2 124.0(5) . . ?
C22 C17 Pd2 121.9(5) . . ?
C28 N6 C27 109.2(5) . . ?
C28 N6 C29 110.8(5) . . ?
C27 N6 C29 107.1(5) . . ?
C28 N6 Pd2 109.8(4) . . ?
C27 N6 Pd2 113.6(4) . . ?
C29 N6 Pd2 106.4(4) . . ?
F6 C18 C19 117.4(6) . . ?
F6 C18 C17 118.7(5) . . ?
C19 C18 C17 124.0(7) . . ?
O4 C26 N4 126.9(6) . . ?
O4 C26 C25 125.3(6) . . ?
N4 C26 C25 107.8(5) . . ?
C25 C24 C23 108.2(6) . . ?
C24 C25 C26 108.2(6) . . ?
F7 C19 C18 119.8(7) . . ?
F7 C19 C20 119.9(6) . . ?
C18 C19 C20 120.3(7) . . ?
O3 C23 N4 126.0(6) . . ?
O3 C23 C24 126.3(6) . . ?
N4 C23 C24 107.6(5) . . ?
F9 C21 C22 120.7(6) . . ?
F9 C21 C20 120.0(6) . . ?
C22 C21 C20 119.3(6) . . ?
C29 C30 N5 110.1(5) . . ?
F10 C22 C21 115.8(6) . . ?
F10 C22 C17 120.5(5) . . ?
C21 C22 C17 123.7(6) . . ?
N6 C29 C30 110.6(5) . . ?
F8 C20 C19 120.6(7) . . ?
F8 C20 C21 120.8(7) . . ?
C19 C20 C21 118.6(6) . . ?
Cl3 C33 Cl2 120.0(5) . . ?
Cl3 C33 Cl1' 125.3(7) . . ?
Cl2 C33 Cl1' 61.5(5) . . ?
Cl3 C33 Cl3' 35.2(4) . . ?
Cl2 C33 Cl3' 146.8(6) . . ?
Cl1' C33 Cl3' 110.3(5) . . ?
Cl3 C33 Cl1 104.0(5) . . ?
Cl2 C33 Cl1 100.6(4) . . ?
Cl1' C33 Cl1 39.2(5) . . ?
Cl3' C33 Cl1 75.9(5) . . ?
Cl3 C33 Cl2' 68.5(5) . . ?
Cl2 C33 Cl2' 56.3(4) . . ?
Cl1' C33 Cl2' 108.8(5) . . ?
Cl3' C33 Cl2' 103.5(4) . . ?
Cl1 C33 Cl2' 136.7(5) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pd1 C1 2.008(6) . ?
Pd1 N1 2.020(5) . ?
Pd1 N2 2.081(5) . ?
Pd1 N3 2.132(5) . ?
F4 C5 1.354(7) . ?
F2 C3 1.347(7) . ?
F5 C6 1.354(7) . ?
C1 C2 1.381(9) . ?
C1 C6 1.392(9) . ?
F3 C4 1.343(7) . ?
F1 C2 1.355(7) . ?
C2 C3 1.383(9) . ?
C4 C5 1.374(9) . ?
C4 C3 1.378(9) . ?
C5 C6 1.374(9) . ?
Pd2 N4 2.016(5) . ?
Pd2 C17 2.019(6) . ?
Pd2 N6 2.084(5) . ?
Pd2 N5 2.127(5) . ?
O2 C10 1.209(8) . ?
O1 C7 1.204(8) . ?
N1 C10 1.374(8) . ?
N1 C7 1.377(8) . ?
C7 C8 1.507(9) . ?
C10 C9 1.502(8) . ?
C8 C9 1.332(10) . ?
N2 C11 1.474(7) . ?
N2 C12 1.490(8) . ?
N2 C13 1.491(8) . ?
N3 C14 1.478(7) . ?
N3 C15 1.483(8) . ?
N3 C16 1.492(8) . ?
C14 C13 1.506(9) . ?
F8 C20 1.339(8) . ?
F6 C18 1.359(7) . ?
F10 C22 1.349(7) . ?
N4 C26 1.372(8) . ?
N4 C23 1.379(8) . ?
N5 C32 1.476(8) . ?
N5 C31 1.484(8) . ?
N5 C30 1.502(8) . ?
F7 C19 1.349(8) . ?
F9 C21 1.347(7) . ?
O3 C23 1.213(8) . ?
C17 C18 1.381(9) . ?
C17 C22 1.389(9) . ?
N6 C28 1.481(8) . ?
N6 C27 1.485(8) . ?
N6 C29 1.490(8) . ?
O4 C26 1.211(8) . ?
C18 C19 1.367(9) . ?
C26 C25 1.507(9) . ?
C24 C25 1.285(9) . ?
C24 C23 1.506(8) . ?
C19 C20 1.368(11) . ?
C21 C22 1.381(9) . ?
C21 C20 1.383(10) . ?
C30 C29 1.495(9) . ?
C33 Cl3 1.692(5) . ?
C33 Cl2 1.695(5) . ?
C33 Cl1' 1.721(5) . ?
C33 Cl3' 1.747(5) . ?
C33 Cl1 1.780(5) . ?
C33 Cl2' 1.802(5) . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O5 H5A O3 0.84(6) 2.10(6) 2.942(7) 177(8) .
O5 H5B O4 0.84(6) 2.07(7) 2.870(7) 160(11) 2_645
O6 H6A O2 0.81(6) 2.22(7) 2.960(7) 154(10) .
O6 H6B O1 0.81(6) 2.00(6) 2.772(7) 160(8) 2
