#------------------------------------------------------------------------------
#$Date: 2016-03-25 09:32:45 +0100 (vie 25 de mar de 2016) $
#$Revision: 179753 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/49/7004930.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_7004930
loop_
_publ_author_name
'Siedle, Gabriel'
'Lassahn, Paul-Gerhard'
'Lozan, Vasile'
'Janiak, Christoph'
'Kersting, Berthold'
_publ_section_title
;
 Coordination chemistry of dinucleating P2N2S ligands: preparation and
 characterization of cationic palladium complexes.
;
_journal_issue                   1
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              52
_journal_page_last               61
_journal_paper_doi               10.1039/b613789j
_journal_year                    2007
_chemical_compound_source
;
Crystals were grown by slow evaporation of a methanolic solution
;
_chemical_formula_structural
;
[(L4)Pd2(mu-Cl)](ClO4)2
;
_chemical_formula_sum            'C40 H45 Cl3 N2 O8 P2 Pd2 S'
_chemical_formula_weight         1094.93
_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
_cell_angle_alpha                60.85(3)
_cell_angle_beta                 72.15(3)
_cell_angle_gamma                81.52(3)
_cell_formula_units_Z            2
_cell_length_a                   12.666(3)
_cell_length_b                   14.142(3)
_cell_length_c                   14.318(3)
_cell_measurement_temperature    180(2)
_cell_volume                     2132.0(11)
_computing_cell_refinement       SMART
_computing_data_collection       SMART
_computing_data_reduction        SAINT
_computing_molecular_graphics    'ORTEP3 (FARRUGIA)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      180(2)
_diffrn_measured_fraction_theta_full 0.928
_diffrn_measured_fraction_theta_max 0.928
_diffrn_measurement_device_type  'BRUKER AXS'
_diffrn_measurement_method       hemisphere
_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  0.0192
_diffrn_reflns_av_sigmaI/netI    0.0355
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            19048
_diffrn_reflns_theta_full        28.29
_diffrn_reflns_theta_max         28.29
_diffrn_reflns_theta_min         1.65
_exptl_absorpt_coefficient_mu    1.209
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.81
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.706
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1104
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.665
_refine_diff_density_min         -0.573
_refine_diff_density_rms         0.077
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     523
_refine_ls_number_reflns         9825
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0410
_refine_ls_R_factor_gt           0.0288
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0345P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0667
_refine_ls_wR_factor_ref         0.0718
_reflns_number_gt                7836
_reflns_number_total             9825
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b613789j.txt
_cod_data_source_block           5
_cod_original_cell_volume        2132.0(7)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7004930
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 0.811547(16) -0.432123(15) 0.522711(15) 0.02407(6) Uani 1 1 d . . .
Pd2 Pd 0.796978(16) -0.356882(15) 0.696461(16) 0.02502(6) Uani 1 1 d . . .
S S 0.91011(5) -0.48899(5) 0.65717(5) 0.02662(14) Uani 1 1 d . . .
Cl1 Cl 0.82793(6) -0.25936(5) 0.50193(5) 0.03089(14) Uani 1 1 d . . .
N1 N 0.78610(17) -0.58861(16) 0.55947(17) 0.0268(5) Uani 1 1 d . . .
H1 H 0.7177 -0.6071 0.6087 0.032 Uiso 1 1 calc R . .
N2 N 0.75848(18) -0.45382(17) 0.86620(17) 0.0297(5) Uani 1 1 d . . .
H2 H 0.6888 -0.4794 0.8866 0.036 Uiso 1 1 calc R . .
C1 C 0.8481(2) -0.6146(2) 0.7637(2) 0.0265(5) Uani 1 1 d . . .
C2 C 0.8135(2) -0.6344(2) 0.8748(2) 0.0294(6) Uani 1 1 d . . .
C3 C 0.7636(2) -0.7333(2) 0.9561(2) 0.0326(6) Uani 1 1 d . . .
H3 H 0.7388 -0.7459 1.0294 0.039 Uiso 1 1 calc R . .
C4 C 0.7491(2) -0.8144(2) 0.9325(2) 0.0332(6) Uani 1 1 d . . .
C5 C 0.7850(2) -0.7923(2) 0.8218(2) 0.0311(6) Uani 1 1 d . . .
H5 H 0.7764 -0.8450 0.8037 0.037 Uiso 1 1 calc R . .
C6 C 0.8336(2) -0.6937(2) 0.7373(2) 0.0269(5) Uani 1 1 d . . .
C7 C 0.8632(2) -0.6715(2) 0.6187(2) 0.0292(6) Uani 1 1 d . . .
H7A H 0.9390 -0.6453 0.5818 0.035 Uiso 1 1 calc R . .
H7B H 0.8581 -0.7379 0.6162 0.035 Uiso 1 1 calc R . .
C8 C 0.7772(2) -0.5969(2) 0.4626(2) 0.0322(6) Uani 1 1 d . . .
H8A H 0.7571 -0.6702 0.4855 0.039 Uiso 1 1 calc R . .
H8B H 0.8478 -0.5792 0.4061 0.039 Uiso 1 1 calc R . .
C9 C 0.6893(2) -0.5188(2) 0.4167(2) 0.0322(6) Uani 1 1 d . . .
H9A H 0.6174 -0.5399 0.4707 0.039 Uiso 1 1 calc R . .
H9B H 0.6855 -0.5176 0.3495 0.039 Uiso 1 1 calc R . .
C10 C 0.8305(2) -0.5517(2) 0.9060(2) 0.0342(6) Uani 1 1 d . . .
H10A H 0.8145 -0.5846 0.9862 0.041 Uiso 1 1 calc R . .
H10B H 0.9077 -0.5292 0.8746 0.041 Uiso 1 1 calc R . .
C11 C 0.7515(2) -0.3896(2) 0.9253(2) 0.0375(7) Uani 1 1 d . . .
H11A H 0.8243 -0.3616 0.9082 0.045 Uiso 1 1 calc R . .
H11B H 0.7262 -0.4356 1.0049 0.045 Uiso 1 1 calc R . .
C12 C 0.6714(2) -0.2968(2) 0.8889(2) 0.0373(7) Uani 1 1 d . . .
H12A H 0.6776 -0.2466 0.9150 0.045 Uiso 1 1 calc R . .
H12B H 0.5960 -0.3241 0.9209 0.045 Uiso 1 1 calc R . .
C13 C 0.6951(3) -0.9226(2) 1.0265(2) 0.0403(7) Uani 1 1 d . . .
C14 C 0.7002(3) -1.0052(2) 0.9856(3) 0.0576(10) Uani 1 1 d . . .
H14A H 0.6670 -1.0720 1.0469 0.086 Uiso 1 1 calc R . .
H14B H 0.7761 -1.0177 0.9542 0.086 Uiso 1 1 calc R . .
H14C H 0.6605 -0.9779 0.9301 0.086 Uiso 1 1 calc R . .
C15 C 0.7547(3) -0.9698(2) 1.1181(3) 0.0521(9) Uani 1 1 d . . .
H15A H 0.7196 -1.0364 1.1777 0.078 Uiso 1 1 calc R . .
H15B H 0.7509 -0.9192 1.1456 0.078 Uiso 1 1 calc R . .
H15C H 0.8309 -0.9833 1.0885 0.078 Uiso 1 1 calc R . .
C16 C 0.5733(3) -0.9015(3) 1.0739(3) 0.0539(9) Uani 1 1 d . . .
H16A H 0.5360 -0.8714 1.0162 0.081 Uiso 1 1 calc R . .
H16B H 0.5693 -0.8516 1.1021 0.081 Uiso 1 1 calc R . .
H16C H 0.5382 -0.9684 1.1329 0.081 Uiso 1 1 calc R . .
P1 P 0.72884(6) -0.38582(5) 0.38659(5) 0.02686(14) Uani 1 1 d . . .
P2 P 0.70334(6) -0.22705(6) 0.73737(6) 0.02988(15) Uani 1 1 d . . .
C101 C 0.8243(2) -0.3258(2) 0.2491(2) 0.0286(6) Uani 1 1 d . . .
C102 C 0.8410(2) -0.3675(3) 0.1758(2) 0.0423(7) Uani 1 1 d . . .
H102 H 0.8039 -0.4300 0.1975 0.051 Uiso 1 1 calc R . .
C103 C 0.9130(3) -0.3159(3) 0.0701(3) 0.0489(8) Uani 1 1 d . . .
H103 H 0.9243 -0.3439 0.0210 0.059 Uiso 1 1 calc R . .
C104 C 0.9677(2) -0.2232(3) 0.0380(2) 0.0464(8) Uani 1 1 d . . .
H104 H 1.0147 -0.1879 -0.0333 0.056 Uiso 1 1 calc R . .
C105 C 0.9533(2) -0.1823(2) 0.1111(2) 0.0428(7) Uani 1 1 d . . .
H105 H 0.9915 -0.1204 0.0893 0.051 Uiso 1 1 calc R . .
C106 C 0.8822(2) -0.2335(2) 0.2167(2) 0.0352(6) Uani 1 1 d . . .
H106 H 0.8729 -0.2062 0.2661 0.042 Uiso 1 1 calc R . .
C201 C 0.6066(2) -0.3021(2) 0.3789(2) 0.0289(6) Uani 1 1 d . . .
C202 C 0.5459(2) -0.2833(2) 0.4671(2) 0.0404(7) Uani 1 1 d . . .
H202 H 0.5705 -0.3102 0.5304 0.048 Uiso 1 1 calc R . .
C203 C 0.4487(3) -0.2243(3) 0.4603(3) 0.0498(8) Uani 1 1 d . . .
H203 H 0.4084 -0.2111 0.5191 0.060 Uiso 1 1 calc R . .
C204 C 0.4111(3) -0.1850(2) 0.3679(3) 0.0452(8) Uani 1 1 d . . .
H204 H 0.3458 -0.1453 0.3641 0.054 Uiso 1 1 calc R . .
C205 C 0.4697(3) -0.2043(3) 0.2807(3) 0.0453(8) Uani 1 1 d . . .
H205 H 0.4437 -0.1783 0.2184 0.054 Uiso 1 1 calc R . .
C206 C 0.5672(2) -0.2621(2) 0.2857(2) 0.0390(7) Uani 1 1 d . . .
H206 H 0.6069 -0.2747 0.2263 0.047 Uiso 1 1 calc R . .
C301 C 0.5718(2) -0.1831(2) 0.7058(2) 0.0330(6) Uani 1 1 d . . .
C302 C 0.5393(2) -0.0755(2) 0.6545(2) 0.0394(7) Uani 1 1 d . . .
H302 H 0.5889 -0.0203 0.6293 0.047 Uiso 1 1 calc R . .
C303 C 0.4335(3) -0.0505(3) 0.6410(3) 0.0471(8) Uani 1 1 d . . .
H303 H 0.4125 0.0216 0.6061 0.057 Uiso 1 1 calc R . .
C304 C 0.3591(3) -0.1312(3) 0.6789(3) 0.0482(8) Uani 1 1 d . . .
H304 H 0.2877 -0.1139 0.6705 0.058 Uiso 1 1 calc R . .
C305 C 0.3906(3) -0.2375(3) 0.7290(3) 0.0511(8) Uani 1 1 d . . .
H305 H 0.3403 -0.2922 0.7547 0.061 Uiso 1 1 calc R . .
C306 C 0.4960(2) -0.2637(3) 0.7416(3) 0.0432(7) Uani 1 1 d . . .
H306 H 0.5169 -0.3361 0.7743 0.052 Uiso 1 1 calc R . .
C401 C 0.7860(2) -0.1077(2) 0.6787(3) 0.0381(7) Uani 1 1 d . . .
C402 C 0.8051(3) -0.0363(2) 0.5648(3) 0.0473(8) Uani 1 1 d . . .
H402 H 0.7745 -0.0509 0.5218 0.057 Uiso 1 1 calc R . .
C403 C 0.8691(3) 0.0553(3) 0.5158(4) 0.0672(12) Uani 1 1 d . . .
H403 H 0.8803 0.1030 0.4404 0.081 Uiso 1 1 calc R . .
C404 C 0.9157(3) 0.0760(3) 0.5777(5) 0.0808(16) Uani 1 1 d . . .
H404 H 0.9586 0.1380 0.5442 0.097 Uiso 1 1 calc R . .
C405 C 0.9003(3) 0.0068(4) 0.6889(5) 0.0798(15) Uani 1 1 d . . .
H405 H 0.9338 0.0217 0.7297 0.096 Uiso 1 1 calc R . .
C406 C 0.8342(3) -0.0868(3) 0.7420(3) 0.0560(9) Uani 1 1 d . . .
H406 H 0.8231 -0.1335 0.8176 0.067 Uiso 1 1 calc R . .
Cl2 Cl 0.51189(6) -0.56568(6) 0.81619(6) 0.04080(17) Uani 1 1 d . . .
O1 O 0.5398(2) -0.53238(19) 0.8877(2) 0.0628(7) Uani 1 1 d . . .
O2 O 0.40948(18) -0.5174(2) 0.7973(2) 0.0648(7) Uani 1 1 d . . .
O3 O 0.5013(3) -0.6802(2) 0.8736(2) 0.0773(8) Uani 1 1 d . . .
O4 O 0.5949(2) -0.5317(3) 0.7152(2) 0.0933(10) Uani 1 1 d . . .
Cl3 Cl 0.08834(6) -0.31766(7) 0.77589(7) 0.04401(18) Uani 1 1 d . . .
O5 O 0.0961(2) -0.2309(2) 0.7962(3) 0.0867(10) Uani 1 1 d . . .
O6 O 0.1874(2) -0.3278(3) 0.7056(3) 0.1055(13) Uani 1 1 d . . .
O7 O 0.0027(2) -0.2980(3) 0.7241(3) 0.1013(11) Uani 1 1 d . . .
O8 O 0.0603(4) -0.4133(3) 0.8790(3) 0.1125(13) Uani 1 1 d . . .
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'
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'
Cl Cl 0.1484 0.1585 '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_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Pd1 P1 84.28(7) . . ?
N1 Pd1 Cl1 173.36(6) . . ?
P1 Pd1 Cl1 99.07(4) . . ?
N1 Pd1 S 92.93(7) . . ?
P1 Pd1 S 174.72(2) . . ?
Cl1 Pd1 S 84.17(4) . . ?
N1 Pd1 Pd2 124.98(6) . . ?
P1 Pd1 Pd2 135.99(2) . . ?
Cl1 Pd1 Pd2 48.99(3) . . ?
S Pd1 Pd2 49.13(2) . . ?
N2 Pd2 P2 85.02(7) . . ?
N2 Pd2 Cl1 173.39(6) . . ?
P2 Pd2 Cl1 97.70(4) . . ?
N2 Pd2 S 94.05(7) . . ?
P2 Pd2 S 174.38(3) . . ?
Cl1 Pd2 S 83.81(4) . . ?
N2 Pd2 Pd1 125.72(6) . . ?
P2 Pd2 Pd1 135.44(3) . . ?
Cl1 Pd2 Pd1 48.65(2) . . ?
S Pd2 Pd1 49.02(3) . . ?
C1 S Pd1 103.94(9) . . ?
C1 S Pd2 104.93(9) . . ?
Pd1 S Pd2 81.84(3) . . ?
Pd1 Cl1 Pd2 82.36(4) . . ?
C8 N1 C7 112.34(19) . . ?
C8 N1 Pd1 112.90(16) . . ?
C7 N1 Pd1 115.33(16) . . ?
C11 N2 C10 111.3(2) . . ?
C11 N2 Pd2 111.42(17) . . ?
C10 N2 Pd2 115.45(16) . . ?
C6 C1 C2 120.1(2) . . ?
C6 C1 S 119.96(19) . . ?
C2 C1 S 120.0(2) . . ?
C3 C2 C1 118.4(2) . . ?
C3 C2 C10 120.4(2) . . ?
C1 C2 C10 121.2(2) . . ?
C2 C3 C4 122.9(2) . . ?
C5 C4 C3 117.1(2) . . ?
C5 C4 C13 122.6(3) . . ?
C3 C4 C13 120.3(2) . . ?
C4 C5 C6 122.0(3) . . ?
C5 C6 C1 119.5(2) . . ?
C5 C6 C7 119.6(2) . . ?
C1 C6 C7 120.9(2) . . ?
N1 C7 C6 110.1(2) . . ?
N1 C8 C9 108.1(2) . . ?
C8 C9 P1 106.72(18) . . ?
N2 C10 C2 112.6(2) . . ?
N2 C11 C12 109.4(2) . . ?
C11 C12 P2 109.36(19) . . ?
C14 C13 C15 108.5(3) . . ?
C14 C13 C16 108.8(3) . . ?
C15 C13 C16 109.5(3) . . ?
C14 C13 C4 112.0(2) . . ?
C15 C13 C4 109.6(3) . . ?
C16 C13 C4 108.4(2) . . ?
C201 P1 C101 106.41(12) . . ?
C201 P1 C9 107.62(12) . . ?
C101 P1 C9 107.70(13) . . ?
C201 P1 Pd1 120.65(9) . . ?
C101 P1 Pd1 112.79(9) . . ?
C9 P1 Pd1 100.84(9) . . ?
C301 P2 C401 107.47(14) . . ?
C301 P2 C12 105.72(14) . . ?
C401 P2 C12 110.90(15) . . ?
C301 P2 Pd2 118.33(9) . . ?
C401 P2 Pd2 112.78(10) . . ?
C12 P2 Pd2 101.20(10) . . ?
C102 C101 C106 119.5(3) . . ?
C102 C101 P1 122.8(2) . . ?
C106 C101 P1 117.7(2) . . ?
C101 C102 C103 120.0(3) . . ?
C104 C103 C102 120.0(3) . . ?
C103 C104 C105 120.4(3) . . ?
C104 C105 C106 120.0(3) . . ?
C105 C106 C101 120.0(3) . . ?
C202 C201 C206 119.1(3) . . ?
C202 C201 P1 121.6(2) . . ?
C206 C201 P1 119.1(2) . . ?
C203 C202 C201 119.6(3) . . ?
C204 C203 C202 120.7(3) . . ?
C203 C204 C205 120.2(3) . . ?
C204 C205 C206 119.9(3) . . ?
C205 C206 C201 120.5(3) . . ?
C302 C301 C306 118.5(3) . . ?
C302 C301 P2 124.7(2) . . ?
C306 C301 P2 116.7(2) . . ?
C303 C302 C301 120.2(3) . . ?
C304 C303 C302 120.5(3) . . ?
C305 C304 C303 119.7(3) . . ?
C304 C305 C306 120.5(3) . . ?
C305 C306 C301 120.6(3) . . ?
C406 C401 C402 119.5(3) . . ?
C406 C401 P2 122.0(3) . . ?
C402 C401 P2 118.4(2) . . ?
C403 C402 C401 120.6(4) . . ?
C404 C403 C402 120.0(4) . . ?
C403 C404 C405 120.9(4) . . ?
C404 C405 C406 120.7(4) . . ?
C401 C406 C405 118.4(4) . . ?
O4 Cl2 O2 110.28(17) . . ?
O4 Cl2 O3 110.90(19) . . ?
O2 Cl2 O3 110.00(18) . . ?
O4 Cl2 O1 110.06(18) . . ?
O2 Cl2 O1 107.66(15) . . ?
O3 Cl2 O1 107.85(15) . . ?
O6 Cl3 O5 109.72(18) . . ?
O6 Cl3 O7 108.3(2) . . ?
O5 Cl3 O7 110.4(2) . . ?
O6 Cl3 O8 112.2(3) . . ?
O5 Cl3 O8 108.75(19) . . ?
O7 Cl3 O8 107.5(2) . . ?
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 N1 2.062(2) . ?
Pd1 P1 2.2652(10) . ?
Pd1 Cl1 2.3461(8) . ?
Pd1 S 2.3623(10) . ?
Pd1 Pd2 3.0975(7) . ?
Pd2 N2 2.061(2) . ?
Pd2 P2 2.2584(10) . ?
Pd2 Cl1 2.3583(11) . ?
Pd2 S 2.3664(10) . ?
S C1 1.771(3) . ?
N1 C8 1.487(3) . ?
N1 C7 1.499(3) . ?
N2 C11 1.493(3) . ?
N2 C10 1.500(3) . ?
C1 C6 1.394(4) . ?
C1 C2 1.406(4) . ?
C2 C3 1.392(4) . ?
C2 C10 1.502(4) . ?
C3 C4 1.393(4) . ?
C4 C5 1.391(4) . ?
C4 C13 1.535(4) . ?
C5 C6 1.393(4) . ?
C6 C7 1.500(3) . ?
C8 C9 1.506(4) . ?
C9 P1 1.824(3) . ?
C11 C12 1.512(4) . ?
C12 P2 1.828(3) . ?
C13 C14 1.528(4) . ?
C13 C15 1.530(4) . ?
C13 C16 1.533(4) . ?
P1 C201 1.802(3) . ?
P1 C101 1.809(3) . ?
P2 C301 1.803(3) . ?
P2 C401 1.804(3) . ?
C101 C102 1.386(4) . ?
C101 C106 1.394(4) . ?
C102 C103 1.389(4) . ?
C103 C104 1.377(5) . ?
C104 C105 1.379(4) . ?
C105 C106 1.384(4) . ?
C201 C202 1.389(4) . ?
C201 C206 1.393(4) . ?
C202 C203 1.384(4) . ?
C203 C204 1.371(5) . ?
C204 C205 1.373(4) . ?
C205 C206 1.377(4) . ?
C301 C302 1.391(4) . ?
C301 C306 1.392(4) . ?
C302 C303 1.382(4) . ?
C303 C304 1.374(5) . ?
C304 C305 1.372(5) . ?
C305 C306 1.374(4) . ?
C401 C406 1.392(4) . ?
C401 C402 1.401(4) . ?
C402 C403 1.380(4) . ?
C403 C404 1.357(6) . ?
C404 C405 1.370(6) . ?
C405 C406 1.409(5) . ?
Cl2 O4 1.402(3) . ?
Cl2 O2 1.413(2) . ?
Cl2 O3 1.421(3) . ?
Cl2 O1 1.461(2) . ?
Cl3 O6 1.387(3) . ?
Cl3 O5 1.414(3) . ?
Cl3 O7 1.417(3) . ?
Cl3 O8 1.417(3) . ?
