#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:35:27 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179755 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/51/7005117.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_7005117
loop_
_publ_author_name
'Baudron, Stéphane A'
'Hosseini, Mir Wais'
'Kyritsakas, Nathalie'
'Kurmoo, Mohamedally'
_publ_section_title
;
 A stepwise approach to the formation of heterometallic discrete
 complexes and infinite architectures.
;
_journal_issue                   11
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1129
_journal_page_last               1139
_journal_paper_doi               10.1039/b616841h
_journal_year                    2007
_chemical_formula_moiety         'C34 H42 N4 Na2 O5 Pd S9'
_chemical_formula_sum            'C34 H42 N4 Na2 O5 Pd S9'
_chemical_formula_weight         1027.64
_chemical_name_systematic
;
?
;
_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                 107.9490(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.3267(5)
_cell_length_b                   12.8644(5)
_cell_length_c                   22.9486(10)
_cell_measurement_reflns_used    6863
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      29.90
_cell_measurement_theta_min      2.48
_cell_volume                     4304.5(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0307
_diffrn_reflns_av_sigmaI/netI    0.0318
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            22627
_diffrn_reflns_theta_full        30.08
_diffrn_reflns_theta_max         30.08
_diffrn_reflns_theta_min         1.87
_exptl_absorpt_coefficient_mu    0.933
_exptl_absorpt_correction_T_max  0.8727
_exptl_absorpt_correction_T_min  0.8141
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.586
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       prism
_exptl_crystal_F_000             2104
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.497
_refine_diff_density_min         -2.061
_refine_diff_density_rms         0.163
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     265
_refine_ls_number_reflns         6318
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.059
_refine_ls_R_factor_all          0.0770
_refine_ls_R_factor_gt           0.0603
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1226P)²+19.7744P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1840
_refine_ls_wR_factor_ref         0.2041
_reflns_number_gt                4945
_reflns_number_total             6318
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b616841h.txt
_cod_data_source_block           e494a
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'C2/c '
_cod_database_code               7005117
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_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
C1 C -0.1096(3) -0.0048(3) 0.08111(18) 0.0262(7) Uani 1 1 d . . .
C2 C -0.1680(3) -0.0110(3) 0.11607(18) 0.0263(7) Uani 1 1 d . . .
C3 C -0.2442(3) 0.0588(3) 0.11401(17) 0.0275(7) Uani 1 1 d . . .
C4 C -0.2806(3) 0.1483(3) 0.0803(2) 0.0400(10) Uani 1 1 d . . .
H4 H -0.2538 0.1771 0.0528 0.048 Uiso 1 1 calc R . .
C5 C -0.3580(3) 0.1924(3) 0.0895(2) 0.0405(10) Uani 1 1 d . . .
H5 H -0.3823 0.2531 0.0689 0.049 Uiso 1 1 calc R . .
C6 C -0.3994(3) 0.1472(3) 0.12888(19) 0.0342(8) Uani 1 1 d . . .
H6 H -0.4527 0.1771 0.1324 0.041 Uiso 1 1 calc R . .
C7 C -0.2913(3) 0.0212(3) 0.15353(16) 0.0247(6) Uani 1 1 d . . .
C8 C -0.1701(2) -0.0919(3) 0.16007(16) 0.0250(6) Uani 1 1 d . . .
C9 C -0.1167(3) -0.1793(3) 0.18272(18) 0.0309(8) Uani 1 1 d . . .
H9 H -0.0661 -0.1954 0.1702 0.037 Uiso 1 1 calc R . .
C10 C -0.1411(3) -0.2418(3) 0.2245(2) 0.0380(9) Uani 1 1 d . . .
H10 H -0.1063 -0.3002 0.2407 0.046 Uiso 1 1 calc R . .
C11 C -0.2178(3) -0.2167(3) 0.2419(2) 0.0385(9) Uani 1 1 d . . .
H11 H -0.2335 -0.2610 0.2691 0.046 Uiso 1 1 calc R . .
C12 C -0.2446(2) -0.0730(3) 0.18258(16) 0.0250(6) Uani 1 1 d . . .
C13 C -0.3645(8) -0.2736(7) 0.0711(4) 0.1078(8) Uani 1 1 d . . .
H13A H -0.3143 -0.2376 0.0994 0.162 Uiso 1 1 calc R . .
H13B H -0.3469 -0.2957 0.0363 0.162 Uiso 1 1 calc R . .
H13C H -0.3804 -0.3333 0.0909 0.162 Uiso 1 1 calc R . .
C14 C -0.4038(8) -0.1066(8) 0.0074(4) 0.1078(8) Uani 1 1 d . . .
H14A H -0.4009 -0.1398 -0.0295 0.162 Uiso 1 1 calc R . .
H14B H -0.3428 -0.0912 0.0331 0.162 Uiso 1 1 calc R . .
H14C H -0.4382 -0.0433 -0.0028 0.162 Uiso 1 1 calc R . .
C15 C -0.2380(5) 0.0130(8) 0.3533(5) 0.091(2) Uani 0.90 1 d PD . .
C16 C -0.3259(7) -0.1262(10) 0.3927(6) 0.091(2) Uani 0.70 1 d PD . .
C16A C -0.3439(15) 0.034(2) 0.4173(9) 0.071(6) Uani 0.30 1 d PD . .
C16B C -0.299(2) -0.121(3) 0.3706(15) 0.022(6) Uiso 0.10 1 d P . .
C17 C -0.4422(5) -0.3890(5) 0.2164(3) 0.0646(16) Uani 1 1 d . . .
N1 N -0.3664(2) 0.0624(3) 0.16217(14) 0.0279(6) Uani 1 1 d . . .
N2 N -0.2705(2) -0.1332(3) 0.22204(15) 0.0324(7) Uani 1 1 d . . .
O1 O -0.4647(5) -0.1478(5) 0.1052(3) 0.1078(8) Uani 1 1 d . . .
O2 O -0.4175(3) 0.0006(3) 0.30798(18) 0.0467(9) Uani 1 1 d . . .
O3 O -0.5000 -0.2145(4) 0.2500 0.0523(13) Uani 1 2 d S . .
Na1 Na -0.43564(11) -0.07471(14) 0.20844(9) 0.0391(4) Uani 1 1 d . . .
S1 S -0.11039(8) 0.09244(8) 0.02809(5) 0.0349(2) Uani 1 1 d . . .
S2 S -0.02324(7) -0.09261(7) 0.08108(5) 0.0311(2) Uani 1 1 d . . .
S3 S -0.4583(2) -0.1912(2) 0.04698(12) 0.1078(8) Uani 1 1 d . . .
S4 S -0.53526(16) -0.31601(17) 0.22338(11) 0.0396(5) Uani 0.50 1 d P . .
S5 S -0.34401(15) 0.00654(19) 0.36958(12) 0.0460(4) Uani 0.70 1 d PD . .
S6 S -0.3325(4) -0.0539(7) 0.3606(4) 0.0499(15) Uani 0.20 1 d PD . .
S7 S -0.3252(9) 0.0120(12) 0.3442(6) 0.042(3) Uani 0.10 1 d P . .
Pd1 Pd 0.0000 0.0000 0.0000 0.02590(14) Uani 1 2 d S . .
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'
Na Na 0.0362 0.0249 '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'
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
C2 C1 S2 126.4(3) . . ?
C2 C1 S1 125.7(3) . . ?
S2 C1 S1 107.9(2) . . ?
C1 C2 C8 127.1(3) . . ?
C1 C2 C3 127.0(3) . . ?
C8 C2 C3 105.8(3) . . ?
C4 C3 C7 116.2(3) . . ?
C4 C3 C2 134.4(3) . . ?
C7 C3 C2 109.4(3) . . ?
C5 C4 C3 117.7(4) . . ?
C5 C4 H4 121.2 . . ?
C3 C4 H4 121.2 . . ?
C6 C5 C4 120.9(4) . . ?
C6 C5 H5 119.6 . . ?
C4 C5 H5 119.6 . . ?
N1 C6 C5 123.2(4) . . ?
N1 C6 H6 118.4 . . ?
C5 C6 H6 118.4 . . ?
N1 C7 C3 126.5(3) . . ?
N1 C7 C12 125.8(3) . . ?
C3 C7 C12 107.7(3) . . ?
N1 C7 Na1 49.17(19) . . ?
C3 C7 Na1 164.8(3) . . ?
C12 C7 Na1 78.21(19) . . ?
C9 C8 C12 116.8(3) . . ?
C9 C8 C2 134.4(3) . . ?
C12 C8 C2 108.8(3) . . ?
C10 C9 C8 118.3(3) . . ?
C10 C9 H9 120.9 . . ?
C8 C9 H9 120.9 . . ?
C9 C10 C11 119.7(4) . . ?
C9 C10 H10 120.2 . . ?
C11 C10 H10 120.2 . . ?
N2 C11 C10 124.3(4) . . ?
N2 C11 H11 117.8 . . ?
C10 C11 H11 117.8 . . ?
N2 C12 C8 126.0(3) . . ?
N2 C12 C7 125.7(3) . . ?
C8 C12 C7 108.3(3) . . ?
S3 C13 H13A 109.5 . . ?
S3 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
S3 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
S3 C14 H14A 109.5 . . ?
S3 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
S3 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
S7 C15 S6 32.5(7) . . ?
S7 C15 S5 20.6(6) . . ?
S6 C15 S5 27.5(3) . . ?
S6 C16 S5 22.7(6) . . ?
S6 C16 S7 7.1(6) . . ?
S5 C16 S7 19.6(4) . . ?
S5 C16A S6 22.7(6) . . ?
S5 C16A S7 12.3(7) . . ?
S6 C16A S7 30.7(6) . . ?
S6 C16B S5 12.7(10) . . ?
S6 C16B S7 20.1(12) . . ?
S5 C16B S7 23.3(6) . . ?
S4 C17 S4 45.05(19) . 2_455 ?
C7 N1 C6 115.5(3) . . ?
C7 N1 Na1 106.6(2) . . ?
C6 N1 Na1 133.9(3) . . ?
C11 N2 C12 114.9(3) . . ?
C11 N2 Na1 138.3(3) . . ?
C12 N2 Na1 103.6(2) . . ?
S3 O1 Na1 166.4(5) . . ?
S7 O2 S5 28.6(6) . . ?
S7 O2 S6 35.3(6) . . ?
S5 O2 S6 30.5(3) . . ?
S7 O2 Na1 150.1(7) . 2_455 ?
S5 O2 Na1 124.4(2) . 2_455 ?
S6 O2 Na1 116.3(3) . 2_455 ?
S7 O2 Na1 113.6(6) . . ?
S5 O2 Na1 137.6(2) . . ?
S6 O2 Na1 111.1(4) . . ?
Na1 O2 Na1 81.89(13) 2_455 . ?
S4 O3 S4 55.0(2) . 2_455 ?
S4 O3 Na1 133.63(10) . 2_455 ?
S4 O3 Na1 130.29(11) 2_455 2_455 ?
S4 O3 Na1 130.29(11) . . ?
S4 O3 Na1 133.63(10) 2_455 . ?
Na1 O3 Na1 82.24(17) 2_455 . ?
O2 Na1 O3 83.24(12) 2_455 . ?
O2 Na1 O2 79.24(16) 2_455 . ?
O3 Na1 O2 82.28(11) . . ?
O2 Na1 O1 97.0(2) 2_455 . ?
O3 Na1 O1 97.05(17) . . ?
O2 Na1 O1 176.2(2) . . ?
O2 Na1 N1 98.80(13) 2_455 . ?
O3 Na1 N1 176.85(13) . . ?
O2 Na1 N1 100.42(13) . . ?
O1 Na1 N1 80.35(17) . . ?
O2 Na1 N2 172.52(14) 2_455 . ?
O3 Na1 N2 104.15(11) . . ?
O2 Na1 N2 100.41(14) . . ?
O1 Na1 N2 83.4(2) . . ?
N1 Na1 N2 73.87(11) . . ?
O2 Na1 C7 122.07(13) 2_455 . ?
O3 Na1 C7 153.09(12) . . ?
O2 Na1 C7 109.50(12) . . ?
O1 Na1 C7 72.68(17) . . ?
N1 Na1 C7 24.25(10) . . ?
N2 Na1 C7 50.87(10) . . ?
O2 Na1 Na1 49.68(10) 2_455 2_455 ?
O3 Na1 Na1 48.88(9) . 2_455 ?
O2 Na1 Na1 48.43(10) . 2_455 ?
O1 Na1 Na1 128.64(19) . 2_455 ?
N1 Na1 Na1 134.23(8) . 2_455 ?
N2 Na1 Na1 135.02(12) . 2_455 ?
C7 Na1 Na1 154.53(8) . 2_455 ?
O2 Na1 S7 101.6(3) 2_455 . ?
O3 Na1 S7 91.9(3) . . ?
O2 Na1 S7 23.4(3) . . ?
O1 Na1 S7 160.2(3) . . ?
N1 Na1 S7 90.1(3) . . ?
N2 Na1 S7 77.4(3) . . ?
C7 Na1 S7 91.5(3) . . ?
Na1 Na1 S7 69.9(3) 2_455 . ?
O2 Na1 S6 104.55(18) 2_455 . ?
O3 Na1 S6 76.43(14) . . ?
O2 Na1 S6 26.94(18) . . ?
O1 Na1 S6 156.4(2) . . ?
N1 Na1 S6 105.25(15) . . ?
N2 Na1 S6 76.54(16) . . ?
C7 Na1 S6 102.86(14) . . ?
Na1 Na1 S6 63.40(13) 2_455 . ?
S7 Na1 S6 16.3(3) . . ?
C1 S1 Pd1 88.70(12) . . ?
C1 S2 Pd1 88.38(12) . . ?
O1 S3 C13 102.8(4) . . ?
O1 S3 C14 113.7(4) . . ?
C13 S3 C14 93.6(5) . . ?
S4 S4 O3 62.52(12) 2_455 . ?
S4 S4 C17 68.8(3) 2_455 . ?
O3 S4 C17 107.9(3) . . ?
S4 S4 C17 66.1(3) 2_455 2_455 ?
O3 S4 C17 106.2(3) . 2_455 ?
C17 S4 C17 98.4(4) . 2_455 ?
S7 S5 C16A 148.0(18) . . ?
S7 S5 O2 67.8(11) . . ?
C16A S5 O2 133.5(10) . . ?
S7 S5 C15 38.3(11) . . ?
C16A S5 C15 116.9(12) . . ?
O2 S5 C15 105.7(4) . . ?
S7 S5 C16 105.5(13) . . ?
C16A S5 C16 93.0(15) . . ?
O2 S5 C16 103.4(4) . . ?
C15 S5 C16 92.2(5) . . ?
S7 S5 C16B 81.4(17) . . ?
C16A S5 C16B 112.4(17) . . ?
O2 S5 C16B 98.1(11) . . ?
C15 S5 C16B 70.6(12) . . ?
C16 S5 C16B 24.4(11) . . ?
S7 S6 C16B 139(2) . . ?
S7 S6 C16 164.2(13) . . ?
C16B S6 C16 40(2) . . ?
S7 S6 O2 59.2(9) . . ?
C16B S6 O2 141(2) . . ?
C16 S6 O2 134.3(7) . . ?
S7 S6 C15 46.8(9) . . ?
C16B S6 C15 94(2) . . ?
C16 S6 C15 122.8(7) . . ?
O2 S6 C15 102.4(5) . . ?
S7 S6 C16A 76.9(15) . . ?
C16B S6 C16A 123(2) . . ?
C16 S6 C16A 93.0(13) . . ?
O2 S6 C16A 91.9(8) . . ?
C15 S6 C16A 91.7(11) . . ?
S7 S6 Na1 74.5(10) . . ?
C16B S6 Na1 102(2) . . ?
C16 S6 Na1 120.7(8) . . ?
O2 S6 Na1 42.0(3) . . ?
C15 S6 Na1 94.5(5) . . ?
C16A S6 Na1 133.7(8) . . ?
S5 S7 S6 58.1(12) . . ?
S5 S7 C15 121.1(16) . . ?
S6 S7 C15 100.8(14) . . ?
S5 S7 O2 83.6(12) . . ?
S6 S7 O2 85.5(10) . . ?
C15 S7 O2 154.1(13) . . ?
S5 S7 C16A 19.7(11) . . ?
S6 S7 C16A 72.3(14) . . ?
C15 S7 C16A 107.5(12) . . ?
O2 S7 C16A 98.4(11) . . ?
S5 S7 C16B 75.3(17) . . ?
S6 S7 C16B 21.3(14) . . ?
C15 S7 C16B 80.8(14) . . ?
O2 S7 C16B 100.3(14) . . ?
C16A S7 C16B 85.3(15) . . ?
S5 S7 C16 55.0(11) . . ?
S6 S7 C16 8.7(7) . . ?
C15 S7 C16 95.5(9) . . ?
O2 S7 C16 93.2(8) . . ?
C16A S7 C16 67.0(11) . . ?
C16B S7 C16 20.6(11) . . ?
S5 S7 Na1 121.1(12) . . ?
S6 S7 Na1 89.1(10) . . ?
C15 S7 Na1 111.5(10) . . ?
O2 S7 Na1 43.0(5) . . ?
C16A S7 Na1 139.2(10) . . ?
C16B S7 Na1 89.6(11) . . ?
C16 S7 Na1 97.5(6) . . ?
S1 Pd1 S1 180.00(6) . 5 ?
S1 Pd1 S2 105.34(3) . 5 ?
S1 Pd1 S2 74.66(3) 5 5 ?
S1 Pd1 S2 74.66(3) . . ?
S1 Pd1 S2 105.34(3) 5 . ?
S2 Pd1 S2 180.00(6) 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
C1 C2 1.376(5) . ?
C1 S2 1.741(4) . ?
C1 S1 1.742(4) . ?
C2 C8 1.458(5) . ?
C2 C3 1.462(5) . ?
C3 C4 1.403(5) . ?
C3 C7 1.407(5) . ?
C4 C5 1.388(6) . ?
C4 H4 0.9300 . ?
C5 C6 1.381(6) . ?
C5 H5 0.9300 . ?
C6 N1 1.338(5) . ?
C6 H6 0.9300 . ?
C7 N1 1.336(5) . ?
C7 C12 1.459(5) . ?
C7 Na1 3.118(4) . ?
C8 C9 1.393(5) . ?
C8 C12 1.413(5) . ?
C9 C10 1.386(5) . ?
C9 H9 0.9300 . ?
C10 C11 1.392(6) . ?
C10 H10 0.9300 . ?
C11 N2 1.337(5) . ?
C11 H11 0.9300 . ?
C12 N2 1.341(5) . ?
C13 S3 1.734(11) . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 S3 1.783(10) . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 S7 1.288(16) . ?
C15 S6 1.737(10) . ?
C15 S5 1.778(9) . ?
C16 S6 1.170(13) . ?
C16 S5 1.784(12) . ?
C16 S7 2.099(19) . ?
C16A S5 1.148(16) . ?
C16A S6 1.769(15) . ?
C16A S7 1.81(2) . ?
C16B S6 1.00(3) . ?
C16B S5 1.78(3) . ?
C16B S7 1.82(4) . ?
C17 S4 1.756(6) . ?
C17 S4 1.791(6) 2_455 ?
N1 Na1 2.462(4) . ?
N2 Na1 2.566(4) . ?
O1 S3 1.479(7) . ?
O1 Na1 2.459(6) . ?
O2 S7 1.410(14) . ?
O2 S5 1.514(4) . ?
O2 S6 1.637(8) . ?
O2 Na1 2.372(4) 2_455 ?
O2 Na1 2.417(4) . ?
O3 S4 1.472(5) . ?
O3 S4 1.472(5) 2_455 ?
O3 Na1 2.386(4) 2_455 ?
O3 Na1 2.386(4) . ?
Na1 O2 2.372(4) 2_455 ?
Na1 Na1 3.139(3) 2_455 ?
Na1 S7 3.250(13) . ?
Na1 S6 3.372(8) . ?
S1 Pd1 2.3162(9) . ?
S2 Pd1 2.3275(9) . ?
S4 S4 1.359(5) 2_455 ?
S4 C17 1.791(6) 2_455 ?
S5 S7 0.729(14) . ?
S6 S7 0.949(16) . ?
Pd1 S1 2.3162(9) 5 ?
Pd1 S2 2.3275(9) 5 ?
