#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:53:59 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179869 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/65/7016575.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_7016575
loop_
_publ_author_name
'Ahn, Jungmin'
'Min Kim, Sung'
'Hwan Noh, Tae'
'Jung, Ok-Sang'
_publ_section_title
;
 Pseudorotaxane-type n-hydrocarbon container. Metallacyclodimer of
 ionic palladium(ii) complexes containing
 1,3-bis(4-pyridyl)tetramethyldisiloxane.
;
_journal_issue                   34
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8520
_journal_page_last               8522
_journal_paper_doi               10.1039/c1dt10980d
_journal_volume                  40
_journal_year                    2011
_chemical_formula_sum            'C51 H88 F12 N8 O14 Pd2 S4 Si4'
_chemical_formula_weight         1718.69
_chemical_name_systematic
;
?
;
_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                95.8110(10)
_cell_angle_beta                 98.5510(10)
_cell_angle_gamma                91.1020(10)
_cell_formula_units_Z            1
_cell_length_a                   10.0959(2)
_cell_length_b                   13.5504(2)
_cell_length_c                   13.6869(2)
_cell_measurement_reflns_used    3248
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.30
_cell_measurement_theta_min      2.50
_cell_volume                     1840.97(5)
_computing_cell_refinement       'Bruker APEX2'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker APEX2'
_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      293(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker Breeze CCD'
_diffrn_measurement_method       'φ and ω 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  0.0842
_diffrn_reflns_av_sigmaI/netI    0.1207
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            30932
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         1.51
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.758
_exptl_absorpt_correction_T_max  0.9776
_exptl_absorpt_correction_T_min  0.9280
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.550
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             882
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.823
_refine_diff_density_min         -1.780
_refine_diff_density_rms         0.138
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     436
_refine_ls_number_reflns         7974
_refine_ls_number_restraints     7
_refine_ls_restrained_S_all      6.351
_refine_ls_R_factor_all          0.1356
_refine_ls_R_factor_gt           0.0753
_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)+(0.0757P)²+8.0007P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1636
_refine_ls_wR_factor_ref         0.1959
_reflns_number_gt                4883
_reflns_number_total             7974
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1dt10980d.txt
_cod_data_source_block           hh
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7016575
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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 0.2309(3) 0.3495(2) 0.7959(2) 0.0260(11) Uani 1 1 d . . .
Si1 Si -0.3143(15) -0.1508(10) 0.6583(10) 0.040(3) Uani 1 1 d . . .
Si2 Si -0.030(2) -0.1098(11) 0.7941(14) 0.072(6) Uani 1 1 d . . .
S1 S 0.8535(13) 0.4933(10) 0.7145(10) 0.045(3) Uani 1 1 d . . .
S2 S 0.3476(13) 0.7727(9) 0.1041(10) 0.045(3) Uani 1 1 d . . .
F1 F 0.798(5) 0.448(5) 0.526(3) 0.13(2) Uani 1 1 d . . .
F2 F 0.644(4) 0.527(4) 0.589(3) 0.114(16) Uani 1 1 d . . .
F3 F 0.672(5) 0.374(4) 0.610(4) 0.115(16) Uani 1 1 d . . .
F4 F 0.498(6) 0.916(5) 0.069(7) 0.28(6) Uani 1 1 d . . .
F5 F 0.290(6) 0.933(4) 0.022(6) 0.20(4) Uani 1 1 d . . .
F6 F 0.395(7) 0.830(9) -0.061(6) 0.23(6) Uani 1 1 d . . .
O1 O -0.162(4) -0.118(2) 0.709(2) 0.051(9) Uani 1 1 d . . .
O2 O 0.949(3) 0.417(3) 0.716(3) 0.054(10) Uani 1 1 d . . .
O3 O 0.903(4) 0.589(3) 0.698(4) 0.095(17) Uani 1 1 d . . .
O4 O 0.772(4) 0.496(4) 0.791(3) 0.080(14) Uani 1 1 d . . .
O5 O 0.223(3) 0.735(3) 0.054(3) 0.060(11) Uani 1 1 d . . .
O6 O 0.456(4) 0.709(3) 0.101(3) 0.062(11) Uani 1 1 d . . .
O7 O 0.345(6) 0.824(4) 0.200(4) 0.12(2) Uani 1 1 d . . .
N1 N 0.147(4) 0.212(3) 0.799(3) 0.032(8) Uani 1 1 d . . .
N2 N -0.265(3) -0.302(3) 0.344(3) 0.030(8) Uani 1 1 d . . .
N3 N 0.204(3) 0.396(3) 0.940(3) 0.029(8) Uani 1 1 d . . .
N4 N 0.317(4) 0.489(3) 0.795(3) 0.035(9) Uani 1 1 d . . .
C1 C 0.014(5) 0.193(3) 0.781(3) 0.035(9) Uani 1 1 d . . .
H1 H -0.0436 0.2444 0.7689 0.043 Uiso 1 1 calc R . .
C2 C -0.039(5) 0.098(3) 0.780(3) 0.037(11) Uani 1 1 d . . .
H2 H -0.1311 0.0876 0.7684 0.045 Uiso 1 1 calc R . .
C3 C 0.043(5) 0.019(3) 0.795(3) 0.040(12) Uani 1 1 d . . .
C4 C 0.179(6) 0.041(4) 0.814(4) 0.048(13) Uani 1 1 d . . .
H4 H 0.2389 -0.0093 0.8259 0.058 Uiso 1 1 calc R . .
C5 C 0.229(5) 0.136(3) 0.814(3) 0.038(11) Uani 1 1 d . . .
H5 H 0.3210 0.1485 0.8247 0.046 Uiso 1 1 calc R . .
C6 C -0.080(13) -0.125(8) 0.915(7) 0.21(7) Uani 1 1 d . . .
H6A H -0.1410 -0.0743 0.9311 0.322 Uiso 1 1 calc R . .
H6B H -0.0023 -0.1199 0.9653 0.322 Uiso 1 1 calc R . .
H6C H -0.1238 -0.1891 0.9128 0.322 Uiso 1 1 calc R . .
C7 C 0.095(9) -0.201(5) 0.760(10) 0.20(7) Uani 1 1 d D . .
H7A H 0.1032 -0.2001 0.6909 0.298 Uiso 1 1 calc R . .
H7B H 0.0653 -0.2667 0.7705 0.298 Uiso 1 1 calc R . .
H7C H 0.1799 -0.1847 0.7999 0.298 Uiso 1 1 calc R . .
C8 C -0.416(9) -0.041(6) 0.642(6) 0.11(2) Uani 1 1 d . . .
H8A H -0.4171 -0.0033 0.7052 0.170 Uiso 1 1 calc R . .
H8B H -0.5065 -0.0613 0.6130 0.170 Uiso 1 1 calc R . .
H8C H -0.3790 0.0002 0.5987 0.170 Uiso 1 1 calc R . .
C9 C -0.389(6) -0.239(5) 0.731(4) 0.064(17) Uani 1 1 d . . .
H9A H -0.3307 -0.2938 0.7394 0.096 Uiso 1 1 calc R . .
H9B H -0.4745 -0.2629 0.6956 0.096 Uiso 1 1 calc R . .
H9C H -0.3992 -0.2061 0.7943 0.096 Uiso 1 1 calc R . .
C10 C -0.298(5) -0.215(3) 0.532(3) 0.033(10) Uani 1 1 d . . .
C11 C -0.394(5) -0.208(3) 0.448(3) 0.037(11) Uani 1 1 d . . .
H11 H -0.4711 -0.1734 0.4548 0.044 Uiso 1 1 calc R . .
C12 C -0.375(5) -0.252(3) 0.356(3) 0.037(11) Uani 1 1 d . . .
H12 H -0.4409 -0.2473 0.3015 0.044 Uiso 1 1 calc R . .
C13 C -0.173(4) -0.311(3) 0.423(3) 0.035(11) Uani 1 1 d . . .
H13 H -0.0966 -0.3464 0.4153 0.042 Uiso 1 1 calc R . .
C14 C -0.187(5) -0.269(3) 0.516(3) 0.035(11) Uani 1 1 d . . .
H14 H -0.1212 -0.2766 0.5694 0.041 Uiso 1 1 calc R . .
C15 C 0.065(5) 0.379(4) 0.959(4) 0.042(12) Uani 1 1 d . A .
H15A H 0.0567 0.4096 1.0245 0.063 Uiso 1 1 calc R . .
H15B H 0.0456 0.3094 0.9553 0.063 Uiso 1 1 calc R . .
H15C H 0.0037 0.4083 0.9107 0.063 Uiso 1 1 calc R . .
C16 C 0.293(5) 0.344(4) 1.012(3) 0.051(14) Uani 1 1 d . A .
H16A H 0.3845 0.3547 1.0019 0.076 Uiso 1 1 calc R . .
H16B H 0.2707 0.2742 1.0012 0.076 Uiso 1 1 calc R . .
H16C H 0.2830 0.3691 1.0781 0.076 Uiso 1 1 calc R . .
C17 C 0.225(18) 0.509(13) 0.945(11) 0.05(4) Uani 0.70 1 d P A 1
H17A H 0.1475 0.5375 0.9087 0.056 Uiso 0.70 1 calc PR A 1
H17B H 0.2359 0.5382 1.0137 0.056 Uiso 0.70 1 calc PR A 1
C18 C 0.344(7) 0.528(5) 0.902(5) 0.035(9) Uani 0.70 1 d P A 1
H18A H 0.4194 0.4954 0.9353 0.043 Uiso 0.70 1 calc PR A 1
H18B H 0.3646 0.5988 0.9083 0.043 Uiso 0.70 1 calc PR A 1
C17' C 0.26(4) 0.49(3) 0.97(2) 0.03(7) Uani 0.30 1 d P A 2
H17C H 0.3475 0.4926 1.0074 0.041 Uiso 0.30 1 calc PR A 2
H17D H 0.2023 0.5289 1.0164 0.041 Uiso 0.30 1 calc PR A 2
C18' C 0.26(2) 0.551(11) 0.878(12) 0.05(5) Uani 0.30 1 d P A 2
H18C H 0.1673 0.5685 0.8537 0.057 Uiso 0.30 1 calc PR A 2
H18D H 0.3112 0.6127 0.8971 0.057 Uiso 0.30 1 calc PR A 2
C19 C 0.453(8) 0.485(7) 0.769(8) 0.14(3) Uani 1 1 d . A .
H19A H 0.4943 0.5502 0.7803 0.204 Uiso 1 1 calc R . .
H19B H 0.4494 0.4594 0.7010 0.204 Uiso 1 1 calc R . .
H19C H 0.5054 0.4418 0.8107 0.204 Uiso 1 1 calc R . .
C20 C 0.241(6) 0.547(4) 0.725(5) 0.068(19) Uani 1 1 d . A .
H20A H 0.2834 0.6115 0.7290 0.102 Uiso 1 1 calc R . .
H20B H 0.1515 0.5537 0.7403 0.102 Uiso 1 1 calc R . .
H20C H 0.2372 0.5145 0.6589 0.102 Uiso 1 1 calc R . .
C21 C 0.737(7) 0.458(6) 0.604(5) 0.071(18) Uani 1 1 d . . .
C22 C 0.385(9) 0.868(7) 0.029(11) 0.15(6) Uani 1 1 d . . .
C23 C -0.040(7) 0.046(4) 0.506(6) 0.11(2) Uani 1 1 d D . .
H23A H 0.0091 0.0970 0.4800 0.136 Uiso 1 1 calc R . .
H23B H -0.0315 0.0640 0.5769 0.136 Uiso 1 1 calc R . .
C24 C -0.185(6) 0.059(7) 0.466(8) 0.14(3) Uani 1 1 d D C .
H24A H -0.2436 0.0142 0.4925 0.163 Uiso 1 1 calc R . .
H24B H -0.2018 0.0504 0.3944 0.163 Uiso 1 1 calc R . .
C25 C -0.195(15) 0.165(8) 0.508(12) 0.24(8) Uani 1 1 d D . .
H25A H -0.1082 0.1985 0.5160 0.285 Uiso 1 1 d R C .
H25B H -0.2203 0.1639 0.5733 0.285 Uiso 1 1 d R . .
H25C H -0.2945 0.2270 0.4494 0.285 Uiso 0.50 1 d PRD B 1
C26 C -0.297(17) 0.229(13) 0.455(15) 0.21(7) Uani 0.50 1 d PD C 2
H26A H -0.2696 0.2425 0.3928 0.322 Uiso 0.50 1 calc PR C 2
H26B H -0.3018 0.2904 0.4954 0.322 Uiso 0.50 1 calc PR C 2
H26C H -0.3828 0.1953 0.4420 0.322 Uiso 0.50 1 calc PR C 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'
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'
Pd Pd -0.9988 1.0072 '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'
Si Si 0.0817 0.0704 '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
N2 Pd1 N1 86.8(14) ? .
N2 Pd1 N4 93.8(14) ? .
N1 Pd1 N4 179.3(15) . .
N2 Pd1 N3 177.8(15) ? .
N1 Pd1 N3 93.4(14) . .
N4 Pd1 N3 86.0(14) . .
O1 Si1 C9 111(2) . .
O1 Si1 C8 111(3) . .
C9 Si1 C8 112(4) . .
O1 Si1 C10 105(2) . .
C9 Si1 C10 109(2) . .
C8 Si1 C10 109(3) . .
O1 Si2 C6 110(4) . .
O1 Si2 C7 110(3) . .
C6 Si2 C7 113(6) . .
O1 Si2 C3 106(2) . .
C6 Si2 C3 110(4) . .
C7 Si2 C3 109(4) . .
O4 S1 O2 115(3) . .
O4 S1 O3 114(3) . .
O2 S1 O3 115(2) . .
O4 S1 C21 103(3) . .
O2 S1 C21 104(3) . .
O3 S1 C21 103(3) . .
O5 S2 O6 116(3) . .
O5 S2 O7 115(3) . .
O6 S2 O7 113(3) . .
O5 S2 C22 102(3) . .
O6 S2 C22 104(4) . .
O7 S2 C22 105(6) . .
Si1 O1 Si2 157(3) . .
C1 N1 C5 118(4) . .
C1 N1 Pd1 123(3) . .
C5 N1 Pd1 118(3) . .
C12 N2 C13 119(4) . .
C12 N2 Pd1 120(3) . 2_556
C13 N2 Pd1 121(3) . 2_556
C17' N3 C16 98(10) . .
C17' N3 C15 114(10) . .
C16 N3 C15 107(4) . .
C17' N3 C17 19(10) . .
C16 N3 C17 117(6) . .
C15 N3 C17 106(7) . .
C17' N3 Pd1 112(10) . .
C16 N3 Pd1 111(3) . .
C15 N3 Pd1 114(3) . .
C17 N3 Pd1 102(6) . .
C20 N4 C19 107(5) . .
C20 N4 C18 119(5) . .
C19 N4 C18 101(6) . .
C20 N4 C18' 88(8) . .
C19 N4 C18' 131(10) . .
C18 N4 C18' 36(7) . .
C20 N4 Pd1 113(3) . .
C19 N4 Pd1 112(4) . .
C18 N4 Pd1 104(3) . .
C18' N4 Pd1 103(7) . .
N1 C1 C2 122(4) . .
N1 C1 H1 119.2 . .
C2 C1 H1 119.3 . .
C1 C2 C3 122(4) . .
C1 C2 H2 119.2 . .
C3 C2 H2 119.2 . .
C2 C3 C4 115(4) . .
C2 C3 Si2 121(4) . .
C4 C3 Si2 123(4) . .
C5 C4 C3 121(4) . .
C5 C4 H4 119.3 . .
C3 C4 H4 119.3 . .
N1 C5 C4 122(5) . .
N1 C5 H5 119.2 . .
C4 C5 H5 119.2 . .
Si2 C6 H6A 109.4 . .
Si2 C6 H6B 109.5 . .
H6A C6 H6B 109.5 . .
Si2 C6 H6C 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
Si2 C7 H7A 111.3 . .
Si2 C7 H7B 108.1 . .
H7A C7 H7B 109.4 . .
Si2 C7 H7C 109.0 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
Si1 C8 H8A 109.5 . .
Si1 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
Si1 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
Si1 C9 H9A 109.5 . .
Si1 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
Si1 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
C14 C10 C11 115(4) . .
C14 C10 Si1 122(3) . .
C11 C10 Si1 123(3) . .
C12 C11 C10 121(4) . .
C12 C11 H11 119.4 . .
C10 C11 H11 119.4 . .
N2 C12 C11 121(4) . .
N2 C12 H12 119.4 . .
C11 C12 H12 119.4 . .
N2 C13 C14 122(4) . .
N2 C13 H13 119.0 . .
C14 C13 H13 119.0 . .
C13 C14 C10 121(4) . .
C13 C14 H14 119.3 . .
C10 C14 H14 119.3 . .
N3 C15 H15A 109.5 . .
N3 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
N3 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
N3 C16 H16A 109.5 . .
N3 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
N3 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C18 C17 N3 108(10) . .
C18 C17 H17A 110.1 . .
N3 C17 H17A 110.1 . .
C18 C17 H17B 110.3 . .
N3 C17 H17B 110.3 . .
H17A C17 H17B 108.5 . .
C17 C18 N4 108(8) . .
C17 C18 H18A 110.1 . .
N4 C18 H18A 110.2 . .
C17 C18 H18B 110.1 . .
N4 C18 H18B 110.1 . .
H18A C18 H18B 108.5 . .
N3 C17' C18' 108(10) . .
N3 C17' H17C 110.1 . .
C18' C17' H17C 110.0 . .
N3 C17' H17D 109.9 . .
C18' C17' H17D 110.0 . .
H17C C17' H17D 108.4 . .
N4 C18' C17' 112(10) . .
N4 C18' H18C 109.1 . .
C17' C18' H18C 109.2 . .
N4 C18' H18D 109.2 . .
C17' C18' H18D 109.2 . .
H18C C18' H18D 107.9 . .
N4 C19 H19A 109.5 . .
N4 C19 H19B 109.6 . .
H19A C19 H19B 109.5 . .
N4 C19 H19C 109.4 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
N4 C20 H20A 109.5 . .
N4 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
N4 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
F1 C21 F3 108(6) . .
F1 C21 F2 107(6) . .
F3 C21 F2 107(6) . .
F1 C21 S1 111(5) . .
F3 C21 S1 112(5) . .
F2 C21 S1 112(5) . .
F6 C22 F4 110(10) . .
F6 C22 F5 108(9) . .
F4 C22 F5 108(9) . .
F6 C22 S2 111(8) . .
F4 C22 S2 110(7) . .
F5 C22 S2 111(10) . .
C23 C23 C24 128(8) 2_556 .
C23 C23 H23A 105.2 2_556 .
C24 C23 H23A 105.3 . .
C23 C23 H23B 105.2 2_556 .
C24 C23 H23B 105.5 . .
H23A C23 H23B 106.0 . .
C23 C24 C25 99(7) . .
C23 C24 H24A 111.8 . .
C25 C24 H24A 111.4 . .
C23 C24 H24B 112.0 . .
C25 C24 H24B 113.3 . .
H24A C24 H24B 109.5 . .
C24 C25 C26 120(10) . .
C24 C25 H25A 109.5 . .
C26 C25 H25A 108.1 . .
C24 C25 H25B 107.2 . .
C26 C25 H25B 104.7 . .
H25A C25 H25B 107.1 . .
C24 C25 H25C 117.3 . .
C26 C25 H25C 3.0 . .
H25A C25 H25C 107.7 . .
H25B C25 H25C 107.7 . .
C25 C26 H25C 90.3 . .
C25 C26 H26A 116.3 . .
C25 C26 H26B 108.3 . .
H26A C26 H26B 107.3 . .
C25 C26 H26C 106.4 . .
H26A C26 H26C 109.7 . .
H26B C26 H26C 108.6 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pd1 N2 2.03(3) ?
Pd1 N1 2.03(4) .
Pd1 N4 2.06(4) .
Pd1 N3 2.07(3) .
Si1 O1 1.62(4) .
Si1 C9 1.84(6) .
Si1 C8 1.84(8) .
Si1 C10 1.88(4) .
Si2 O1 1.63(4) .
Si2 C6 1.83(11) .
Si2 C7 1.86(9) .
Si2 C3 1.87(5) .
S1 O4 1.42(4) .
S1 O2 1.43(3) .
S1 O3 1.43(4) .
S1 C21 1.79(7) .
S2 O5 1.40(4) .
S2 O6 1.41(4) .
S2 O7 1.42(4) .
S2 C22 1.80(10) .
F1 C21 1.31(7) .
F2 C21 1.34(8) .
F3 C21 1.32(8) .
F4 C22 1.32(8) .
F5 C22 1.32(12) .
F6 C22 1.30(16) .
N1 C1 1.34(5) .
N1 C5 1.35(5) .
N2 C12 1.34(5) .
N2 C13 1.34(5) .
N2 Pd1 2.03(3) 2_556
N3 C17' 1.4(4) .
N3 C16 1.48(6) .
N3 C15 1.48(5) .
N3 C17 1.53(19) .
N4 C20 1.44(6) .
N4 C19 1.47(8) .
N4 C18 1.49(8) .
N4 C18' 1.55(16) .
C1 C2 1.38(6) .
C1 H1 0.9300 .
C2 C3 1.38(6) .
C2 H2 0.9300 .
C3 C4 1.39(7) .
C4 C5 1.37(6) .
C4 H4 0.9300 .
C5 H5 0.9300 .
C6 H6A 0.9600 .
C6 H6B 0.9600 .
C6 H6C 0.9600 .
C7 H7A 0.9602 .
C7 H7B 0.9602 .
C7 H7C 0.9602 .
C8 H8A 0.9600 .
C8 H8B 0.9600 .
C8 H8C 0.9600 .
C9 H9A 0.9600 .
C9 H9B 0.9600 .
C9 H9C 0.9600 .
C10 C14 1.38(6) .
C10 C11 1.39(6) .
C11 C12 1.38(6) .
C11 H11 0.9300 .
C12 H12 0.9300 .
C13 C14 1.37(6) .
C13 H13 0.9300 .
C14 H14 0.9300 .
C15 H15A 0.9600 .
C15 H15B 0.9600 .
C15 H15C 0.9600 .
C16 H16A 0.9600 .
C16 H16B 0.9600 .
C16 H16C 0.9600 .
C17 C18 1.4(2) .
C17 H17A 0.9700 .
C17 H17B 0.9700 .
C18 H18A 0.9700 .
C18 H18B 0.9700 .
C17' C18' 1.6(3) .
C17' H17C 0.9700 .
C17' H17D 0.9700 .
C18' H18C 0.9700 .
C18' H18D 0.9700 .
C19 H19A 0.9600 .
C19 H19B 0.9600 .
C19 H19C 0.9600 .
C20 H20A 0.9600 .
C20 H20B 0.9600 .
C20 H20C 0.9600 .
C23 C23 1.498(13) 2_556
C23 C24 1.500(9) .
C23 H23A 0.9700 .
C23 H23B 0.9700 .
C24 C25 1.501(14) .
C24 H24A 0.9700 .
C24 H24B 0.9700 .
C25 C26 1.51(3) .
C25 H25A 0.9700 .
C25 H25B 0.9700 .
C25 H25C 1.5092 .
C26 H25C 0.0802 .
C26 H26A 0.9763 .
C26 H26B 0.9676 .
C26 H26C 0.9661 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
C9 Si1 O1 Si2 -10(7) .
C8 Si1 O1 Si2 115(7) .
C10 Si1 O1 Si2 -127(6) .
C6 Si2 O1 Si1 -23(8) .
C7 Si2 O1 Si1 101(8) .
C3 Si2 O1 Si1 -141(6) .
N2 Pd1 N1 C1 -99(4) ?
N4 Pd1 N1 C1 104(100) .
N3 Pd1 N1 C1 83(4) .
N2 Pd1 N1 C5 77(3) ?
N4 Pd1 N1 C5 -79(100) .
N3 Pd1 N1 C5 -101(3) .
N2 Pd1 N3 C17' 83(40) ?
N1 Pd1 N3 C17' 178(15) .
N4 Pd1 N3 C17' -2(15) .
N2 Pd1 N3 C16 -25(39) ?
N1 Pd1 N3 C16 70(3) .
N4 Pd1 N3 C16 -110(3) .
N2 Pd1 N3 C15 -145(36) ?
N1 Pd1 N3 C15 -51(3) .
N4 Pd1 N3 C15 129(3) .
N2 Pd1 N3 C17 101(38) ?
N1 Pd1 N3 C17 -165(7) .
N4 Pd1 N3 C17 16(7) .
N2 Pd1 N4 C20 67(4) ?
N1 Pd1 N4 C20 -136(100) .
N3 Pd1 N4 C20 -115(4) .
N2 Pd1 N4 C19 -54(5) ?
N1 Pd1 N4 C19 103(100) .
N3 Pd1 N4 C19 124(5) .
N2 Pd1 N4 C18 -162(4) ?
N1 Pd1 N4 C18 -6(100) .
N3 Pd1 N4 C18 16(4) .
N2 Pd1 N4 C18' 160(8) ?
N1 Pd1 N4 C18' -43(100) .
N3 Pd1 N4 C18' -22(8) .
C5 N1 C1 C2 1(6) .
Pd1 N1 C1 C2 178(3) .
N1 C1 C2 C3 -1(7) .
C1 C2 C3 C4 1(7) .
C1 C2 C3 Si2 180(4) .
O1 Si2 C3 C2 36(5) .
C6 Si2 C3 C2 -82(6) .
C7 Si2 C3 C2 154(5) .
O1 Si2 C3 C4 -145(4) .
C6 Si2 C3 C4 97(6) .
C7 Si2 C3 C4 -27(6) .
C2 C3 C4 C5 -1(7) .
Si2 C3 C4 C5 180(4) .
C1 N1 C5 C4 -1(7) .
Pd1 N1 C5 C4 -178(4) .
C3 C4 C5 N1 1(8) .
O1 Si1 C10 C14 32(4) .
C9 Si1 C10 C14 -86(4) .
C8 Si1 C10 C14 151(5) .
O1 Si1 C10 C11 -145(4) .
C9 Si1 C10 C11 96(4) .
C8 Si1 C10 C11 -27(5) .
C14 C10 C11 C12 -1(7) .
Si1 C10 C11 C12 177(4) .
C13 N2 C12 C11 1(7) .
Pd1 N2 C12 C11 -172(3) 2_556
C10 C11 C12 N2 -1(7) .
C12 N2 C13 C14 -1(7) .
Pd1 N2 C13 C14 172(3) 2_556
N2 C13 C14 C10 0(7) .
C11 C10 C14 C13 1(7) .
Si1 C10 C14 C13 -177(3) .
C17' N3 C17 C18 77(67) .
C16 N3 C17 C18 75(10) .
C15 N3 C17 C18 -165(7) .
Pd1 N3 C17 C18 -46(9) .
N3 C17 C18 N4 64(9) .
C20 N4 C18 C17 80(9) .
C19 N4 C18 C17 -163(8) .
C18' N4 C18 C17 47(13) .
Pd1 N4 C18 C17 -46(8) .
C16 N3 C17' C18' 142(21) .
C15 N3 C17' C18' -105(23) .
C17 N3 C17' C18' -37(48) .
Pd1 N3 C17' C18' 26(28) .
C20 N4 C18' C17' 156(22) .
C19 N4 C18' C17' -94(22) .
C18 N4 C18' C17' -53(21) .
Pd1 N4 C18' C17' 43(23) .
N3 C17' C18' N4 -47(31) .
O4 S1 C21 F1 -177(5) .
O2 S1 C21 F1 -56(6) .
O3 S1 C21 F1 64(6) .
O4 S1 C21 F3 -56(6) .
O2 S1 C21 F3 65(5) .
O3 S1 C21 F3 -175(5) .
O4 S1 C21 F2 63(5) .
O2 S1 C21 F2 -176(4) .
O3 S1 C21 F2 -56(5) .
O5 S2 C22 F6 -62(8) .
O6 S2 C22 F6 59(7) .
O7 S2 C22 F6 178(7) .
O5 S2 C22 F4 177(10) .
O6 S2 C22 F4 -62(11) .
O7 S2 C22 F4 56(11) .
O5 S2 C22 F5 58(9) .
O6 S2 C22 F5 179(8) .
O7 S2 C22 F5 -63(8) .
C23 C23 C24 C25 179(13) 2_556
C23 C24 C25 C26 152(15) .
