#------------------------------------------------------------------------------
#$Date: 2019-03-05 10:52:05 +0200 (Tue, 05 Mar 2019) $
#$Revision: 213973 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/01/05/7010576.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_7010576
loop_
_publ_author_name
'Arca, Massimiliano'
'Blake, Alexander J.'
'Casabò, Jaume'
'Demartin, Francesco'
'Devillanova, Francesco A.'
'Garau, Alessandra'
'Isaia, Francesco'
'Lippolis, Vito'
'Kivekas, Raikko'
'Muns, Vicent'
'Schröder, Martin'
'Verani, Gaetano'
_publ_section_title
;
 Conformationally locked pentadentate macrocycles containing the
 1,10-phenanthroline unit. Synthesis and crystal structure of
 5-oxa-2,8-dithia[9](2,9)-1,10-phenanthrolinophane (L) and its
 coordination properties to NiII, PdII, PtII, RhIII and
 RuII †
;
_journal_issue                   8
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              1180
_journal_paper_doi               10.1039/b100493j
_journal_year                    2001
_chemical_formula_moiety         'C18 H18 N2 O Pd S2 2+, 2(B F4 -)'
_chemical_formula_sum            'C18 H18 B2 F8 N2 O Pd S2'
_chemical_formula_weight         622.48
_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                96.68(2)
_cell_angle_beta                 98.27(2)
_cell_angle_gamma                112.04(2)
_cell_formula_units_Z            2
_cell_length_a                   9.220(2)
_cell_length_b                   11.025(2)
_cell_length_c                   11.695(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      18.5
_cell_measurement_theta_min      12.0
_cell_volume                     1071.5(4)
_computing_cell_refinement       STADI-4
_computing_data_collection       'Stoe STADI-4 (Stoe, 1997a)'
_computing_data_reduction        'Stoe X-RED (Stoe, 1997b)'
_computing_molecular_graphics    'SHELXTL version 5.03 (Siemens, 1994)'
_computing_publication_material  'SHELXL-97; PLATON (Spek, 2001)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Nonius CAD4 four-circle'
_diffrn_measurement_method       omega
_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
_diffrn_reflns_av_sigmaI/netI    0.024
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            3745
_diffrn_reflns_theta_full        24.97
_diffrn_reflns_theta_max         24.97
_diffrn_reflns_theta_min         3.12
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.146
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.89
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   'North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.929
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             616
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.98
_refine_diff_density_min         -0.88
_refine_diff_density_rms         0.10
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     307
_refine_ls_number_reflns         3745
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0530
_refine_ls_R_factor_gt           0.0457
_refine_ls_shift/su_max          0.011
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0676P)²+2.601P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1165
_refine_ls_wR_factor_ref         0.1219
_reflns_number_gt                3305
_reflns_number_total             3745
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b100493j.txt
_cod_data_source_block           Pd(L)(BF4)2
_cod_depositor_comments
;
The following automatic conversions were performed:
'_atom_site_symetry_multiplicity' tag replaced with
'_atom_site_symmetry_multiplicity'.

Automatic conversion script
Id: cif_correct_tags 1440 2010-10-19 06:21:57Z saulius 
;
_cod_original_cell_volume        1071.4(4)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7010576
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 0.13385(4) 0.08074(4) 0.27734(3) 0.03871(15) Uani 1 1 d . . .
S1 S 0.30505(17) 0.00815(15) 0.38269(14) 0.0560(4) Uani 1 1 d . . .
S2 S 0.2426(2) 0.30978(14) 0.29865(13) 0.0550(4) Uani 1 1 d . . .
O1 O 0.1665(4) 0.1874(4) 0.5260(3) 0.0518(9) Uani 1 1 d . . .
F1A F 0.4421(6) 0.7917(4) 0.1990(4) 0.1079(15) Uani 1.10 1 d P . .
F1B F 0.3252(6) 0.6292(4) 0.2966(3) 0.1006(14) Uani 1.10 1 d P . .
F1D F 0.2449(6) 0.5994(4) 0.1023(4) 0.1187(18) Uani 1.10 1 d P . .
F1C F 0.4783(7) 0.6009(5) 0.1792(6) 0.1281(19) Uani 1.10 1 d P . .
F2B F 0.2757(9) 0.6486(7) 0.7481(6) 0.159(3) Uani 1.10 1 d P . .
F2A F 0.1513(9) 0.6238(13) 0.5874(9) 0.262(6) Uani 1.10 1 d P . .
F2C F 0.3984(7) 0.7165(6) 0.6004(6) 0.151(2) Uani 1.10 1 d P . .
F2D F 0.2655(17) 0.8155(8) 0.6825(10) 0.313(8) Uani 1.10 1 d P . .
N1 N 0.0064(5) -0.1131(4) 0.2235(4) 0.0428(9) Uani 1 1 d . . .
N2 N -0.0332(5) 0.0918(5) 0.1569(4) 0.0482(10) Uani 1 1 d . . .
C1 C 0.1664(8) -0.1658(6) 0.3725(6) 0.0595(15) Uani 1 1 d . . .
H1A H 0.2246 -0.2229 0.3680 0.071 Uiso 1 1 calc R . .
H1B H 0.1218 -0.1742 0.4428 0.071 Uiso 1 1 calc R . .
C2 C 0.0348(7) -0.2099(5) 0.2678(5) 0.0499(13) Uani 1 1 d . . .
C3 C -0.0625(9) -0.3421(6) 0.2178(7) 0.0671(17) Uani 1 1 d . . .
H3 H -0.0430 -0.4103 0.2477 0.080 Uiso 1 1 calc R . .
C4 C -0.1866(9) -0.3723(6) 0.1249(7) 0.073(2) Uani 1 1 d . . .
H4 H -0.2506 -0.4609 0.0922 0.087 Uiso 1 1 calc R . .
C5 C -0.2181(7) -0.2710(7) 0.0785(5) 0.0619(17) Uani 1 1 d . . .
C6 C -0.1172(6) -0.1407(6) 0.1315(5) 0.0485(12) Uani 1 1 d . . .
C10 C -0.3446(8) -0.2869(9) -0.0171(6) 0.082(2) Uani 1 1 d . . .
H7 H -0.4136 -0.3722 -0.0561 0.098 Uiso 1 1 calc R . .
C9 C -0.3652(8) -0.1828(10) -0.0509(6) 0.081(2) Uani 1 1 d . . .
H8 H -0.4486 -0.1980 -0.1132 0.097 Uiso 1 1 calc R . .
C8 C -0.2632(7) -0.0459(8) 0.0049(5) 0.0663(18) Uani 1 1 d . . .
C7 C -0.1387(7) -0.0298(6) 0.0965(5) 0.0515(13) Uani 1 1 d . . .
C11 C -0.2726(9) 0.0711(10) -0.0228(6) 0.082(2) Uani 1 1 d . . .
H11 H -0.3534 0.0657 -0.0833 0.099 Uiso 1 1 calc R . .
C12 C -0.1650(10) 0.1936(9) 0.0375(6) 0.076(2) Uani 1 1 d . . .
H12 H -0.1725 0.2704 0.0171 0.091 Uiso 1 1 calc R . .
C13 C -0.0430(8) 0.2034(7) 0.1302(5) 0.0591(15) Uani 1 1 d . . .
C14 C 0.0786(9) 0.3299(7) 0.2035(6) 0.0710(19) Uani 1 1 d . . .
H14A H 0.0261 0.3701 0.2524 0.085 Uiso 1 1 calc R . .
H14B H 0.1237 0.3907 0.1520 0.085 Uiso 1 1 calc R . .
C15 C 0.2155(11) 0.3772(7) 0.4421(6) 0.083(2) Uani 1 1 d . . .
H15A H 0.2740 0.4731 0.4594 0.100 Uiso 1 1 calc R . .
H15B H 0.1032 0.3583 0.4384 0.100 Uiso 1 1 calc R . .
C16 C 0.2714(10) 0.3198(7) 0.5351(6) 0.079(2) Uani 1 1 d . . .
H16A H 0.3771 0.3239 0.5299 0.094 Uiso 1 1 calc R . .
H16B H 0.2788 0.3705 0.6109 0.094 Uiso 1 1 calc R . .
C17 C 0.2348(8) 0.1063(9) 0.5853(5) 0.078(2) Uani 1 1 d . . .
H17A H 0.1485 0.0225 0.5865 0.093 Uiso 1 1 calc R . .
H17B H 0.2813 0.1512 0.6663 0.093 Uiso 1 1 calc R . .
C18 C 0.3582(8) 0.0763(8) 0.5344(6) 0.0687(17) Uani 1 1 d . . .
H18A H 0.3854 0.0145 0.5766 0.082 Uiso 1 1 calc R . .
H18B H 0.4535 0.1580 0.5479 0.082 Uiso 1 1 calc R . .
B1 B 0.3735(8) 0.6573(7) 0.1939(6) 0.0519(15) Uani 1 1 d . . .
B2 B 0.2845(9) 0.7105(9) 0.6590(7) 0.0631(18) 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
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'
F F 0.0171 0.0103 '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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 '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'
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
N2 Pd1 N1 82.16(19) . . ?
N2 Pd1 S1 163.19(14) . . ?
N1 Pd1 S1 82.53(13) . . ?
N2 Pd1 S2 83.80(14) . . ?
N1 Pd1 S2 165.65(13) . . ?
S1 Pd1 S2 111.01(6) . . ?
N2 Pd1 O1 119.84(15) . . ?
N1 Pd1 O1 116.63(14) . . ?
S1 Pd1 O1 73.63(9) . . ?
S2 Pd1 O1 73.27(9) . . ?
C18 S1 C1 104.7(3) . . ?
C18 S1 Pd1 113.7(2) . . ?
C1 S1 Pd1 98.7(2) . . ?
C14 S2 C15 98.6(3) . . ?
C14 S2 Pd1 98.8(2) . . ?
C15 S2 Pd1 107.1(3) . . ?
C16 O1 C17 114.8(5) . . ?
C16 O1 Pd1 101.4(3) . . ?
C17 O1 Pd1 102.1(3) . . ?
C2 N1 C6 121.5(5) . . ?
C2 N1 Pd1 125.9(4) . . ?
C6 N1 Pd1 112.7(4) . . ?
C13 N2 C7 121.1(5) . . ?
C13 N2 Pd1 126.2(4) . . ?
C7 N2 Pd1 112.7(4) . . ?
C2 C1 S1 111.4(4) . . ?
N1 C2 C3 119.2(6) . . ?
N1 C2 C1 115.7(5) . . ?
C3 C2 C1 125.0(6) . . ?
C4 C3 C2 120.5(6) . . ?
C3 C4 C5 120.7(6) . . ?
C6 C5 C4 116.6(6) . . ?
C6 C5 C10 116.3(7) . . ?
C4 C5 C10 127.1(7) . . ?
N1 C6 C5 121.6(6) . . ?
N1 C6 C7 115.9(5) . . ?
C5 C6 C7 122.5(6) . . ?
C9 C10 C5 121.5(7) . . ?
C10 C9 C8 123.0(6) . . ?
C7 C8 C11 116.0(7) . . ?
C7 C8 C9 115.7(7) . . ?
C11 C8 C9 128.3(7) . . ?
N2 C7 C8 122.6(6) . . ?
N2 C7 C6 116.4(5) . . ?
C8 C7 C6 120.9(6) . . ?
C12 C11 C8 121.2(6) . . ?
C11 C12 C13 120.1(7) . . ?
N2 C13 C12 119.0(7) . . ?
N2 C13 C14 115.8(5) . . ?
C12 C13 C14 125.2(6) . . ?
C13 C14 S2 114.1(4) . . ?
C16 C15 S2 111.3(5) . . ?
O1 C16 C15 110.2(6) . . ?
O1 C17 C18 116.6(5) . . ?
C17 C18 S1 115.8(5) . . ?
F1C B1 F1A 111.3(6) . . ?
F1C B1 F1D 108.4(6) . . ?
F1A B1 F1D 110.4(5) . . ?
F1C B1 F1B 106.8(5) . . ?
F1A B1 F1B 110.6(5) . . ?
F1D B1 F1B 109.3(6) . . ?
F2D B2 F2B 111.3(8) . . ?
F2D B2 F2C 115.9(8) . . ?
F2B B2 F2C 117.7(7) . . ?
F2D B2 F2A 107.0(11) . . ?
F2B B2 F2A 98.0(9) . . ?
F2C B2 F2A 104.4(8) . . ?
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 N2 1.982(4) . ?
Pd1 N1 1.984(4) . ?
Pd1 S1 2.2951(14) . ?
Pd1 S2 2.3077(14) . ?
Pd1 O1 2.935(4) . ?
S1 C18 1.765(7) . ?
S1 C1 1.841(6) . ?
S2 C14 1.843(7) . ?
S2 C15 1.844(7) . ?
O1 C16 1.397(8) . ?
O1 C17 1.456(8) . ?
F1A B1 1.365(8) . ?
F1B B1 1.369(7) . ?
F1D B1 1.367(8) . ?
F1C B1 1.350(8) . ?
F2B B2 1.306(9) . ?
F2A B2 1.327(11) . ?
F2C B2 1.320(9) . ?
F2D B2 1.241(10) . ?
N1 C2 1.332(7) . ?
N1 C6 1.364(7) . ?
N2 C13 1.336(7) . ?
N2 C7 1.358(7) . ?
C1 C2 1.483(9) . ?
C2 C3 1.393(8) . ?
C3 C4 1.368(10) . ?
C4 C5 1.402(10) . ?
C5 C6 1.392(8) . ?
C5 C10 1.437(10) . ?
C6 C7 1.405(8) . ?
C10 C9 1.325(12) . ?
C9 C8 1.455(11) . ?
C8 C7 1.394(8) . ?
C8 C11 1.397(11) . ?
C11 C12 1.370(11) . ?
C12 C13 1.408(9) . ?
C13 C14 1.486(10) . ?
C15 C16 1.447(10) . ?
C17 C18 1.479(9) . ?
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
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N2 Pd1 S1 C18 -151.6(5) . . . . ?
N1 Pd1 S1 C18 -127.1(3) . . . . ?
S2 Pd1 S1 C18 57.8(3) . . . . ?
O1 Pd1 S1 C18 -6.4(3) . . . . ?
N2 Pd1 S1 C1 -41.3(5) . . . . ?
N1 Pd1 S1 C1 -16.7(2) . . . . ?
S2 Pd1 S1 C1 168.2(2) . . . . ?
O1 Pd1 S1 C1 103.9(2) . . . . ?
N2 Pd1 S2 C14 7.4(3) . . . . ?
N1 Pd1 S2 C14 19.2(5) . . . . ?
S1 Pd1 S2 C14 179.2(2) . . . . ?
O1 Pd1 S2 C14 -116.3(2) . . . . ?
N2 Pd1 S2 C15 109.3(3) . . . . ?
N1 Pd1 S2 C15 121.1(6) . . . . ?
S1 Pd1 S2 C15 -79.0(3) . . . . ?
O1 Pd1 S2 C15 -14.5(3) . . . . ?
N2 Pd1 O1 C16 -88.4(4) . . . . ?
N1 Pd1 O1 C16 175.2(4) . . . . ?
S1 Pd1 O1 C16 102.6(4) . . . . ?
S2 Pd1 O1 C16 -16.0(4) . . . . ?
N2 Pd1 O1 C17 152.8(4) . . . . ?
N1 Pd1 O1 C17 56.4(4) . . . . ?
S1 Pd1 O1 C17 -16.2(3) . . . . ?
S2 Pd1 O1 C17 -134.8(4) . . . . ?
N2 Pd1 N1 C2 -177.1(4) . . . . ?
S1 Pd1 N1 C2 9.9(4) . . . . ?
S2 Pd1 N1 C2 171.0(4) . . . . ?
O1 Pd1 N1 C2 -57.6(4) . . . . ?
N2 Pd1 N1 C6 4.1(3) . . . . ?
S1 Pd1 N1 C6 -169.0(3) . . . . ?
S2 Pd1 N1 C6 -7.8(7) . . . . ?
O1 Pd1 N1 C6 123.6(3) . . . . ?
N1 Pd1 N2 C13 179.3(5) . . . . ?
S1 Pd1 N2 C13 -156.1(4) . . . . ?
S2 Pd1 N2 C13 -3.6(4) . . . . ?
O1 Pd1 N2 C13 63.1(5) . . . . ?
N1 Pd1 N2 C7 -3.6(3) . . . . ?
S1 Pd1 N2 C7 20.9(7) . . . . ?
S2 Pd1 N2 C7 173.4(4) . . . . ?
O1 Pd1 N2 C7 -119.9(3) . . . . ?
C18 S1 C1 C2 141.9(4) . . . . ?
Pd1 S1 C1 C2 24.5(4) . . . . ?
C6 N1 C2 C3 0.9(8) . . . . ?
Pd1 N1 C2 C3 -177.8(4) . . . . ?
C6 N1 C2 C1 -176.2(5) . . . . ?
Pd1 N1 C2 C1 5.1(7) . . . . ?
S1 C1 C2 N1 -21.4(6) . . . . ?
S1 C1 C2 C3 161.7(5) . . . . ?
N1 C2 C3 C4 -0.5(9) . . . . ?
C1 C2 C3 C4 176.4(6) . . . . ?
C2 C3 C4 C5 -0.1(9) . . . . ?
C3 C4 C5 C6 0.2(9) . . . . ?
C3 C4 C5 C10 -179.0(6) . . . . ?
C2 N1 C6 C5 -0.9(7) . . . . ?
Pd1 N1 C6 C5 178.0(4) . . . . ?
C2 N1 C6 C7 177.3(5) . . . . ?
Pd1 N1 C6 C7 -3.8(6) . . . . ?
C4 C5 C6 N1 0.3(8) . . . . ?
C10 C5 C6 N1 179.6(5) . . . . ?
C4 C5 C6 C7 -177.7(5) . . . . ?
C10 C5 C6 C7 1.5(8) . . . . ?
C6 C5 C10 C9 -1.3(9) . . . . ?
C4 C5 C10 C9 177.9(6) . . . . ?
C5 C10 C9 C8 0.0(11) . . . . ?
C10 C9 C8 C7 1.0(9) . . . . ?
C10 C9 C8 C11 179.8(7) . . . . ?
C13 N2 C7 C8 -0.7(8) . . . . ?
Pd1 N2 C7 C8 -177.9(4) . . . . ?
C13 N2 C7 C6 179.8(5) . . . . ?
Pd1 N2 C7 C6 2.6(6) . . . . ?
C11 C8 C7 N2 0.8(8) . . . . ?
C9 C8 C7 N2 179.8(5) . . . . ?
C11 C8 C7 C6 -179.7(5) . . . . ?
C9 C8 C7 C6 -0.7(8) . . . . ?
N1 C6 C7 N2 0.8(7) . . . . ?
C5 C6 C7 N2 179.0(5) . . . . ?
N1 C6 C7 C8 -178.7(5) . . . . ?
C5 C6 C7 C8 -0.6(8) . . . . ?
C7 C8 C11 C12 -0.1(9) . . . . ?
C9 C8 C11 C12 -178.9(6) . . . . ?
C8 C11 C12 C13 -0.7(10) . . . . ?
C7 N2 C13 C12 -0.2(8) . . . . ?
Pd1 N2 C13 C12 176.6(4) . . . . ?
C7 N2 C13 C14 179.5(5) . . . . ?
Pd1 N2 C13 C14 -3.7(7) . . . . ?
C11 C12 C13 N2 0.9(9) . . . . ?
C11 C12 C13 C14 -178.8(6) . . . . ?
N2 C13 C14 S2 11.0(7) . . . . ?
C12 C13 C14 S2 -169.3(5) . . . . ?
C15 S2 C14 C13 -120.6(5) . . . . ?
Pd1 S2 C14 C13 -11.6(5) . . . . ?
C14 S2 C15 C16 152.5(6) . . . . ?
Pd1 S2 C15 C16 50.4(7) . . . . ?
C17 O1 C16 C15 159.2(6) . . . . ?
Pd1 O1 C16 C15 50.0(6) . . . . ?
S2 C15 C16 O1 -72.2(8) . . . . ?
C16 O1 C17 C18 -68.7(8) . . . . ?
Pd1 O1 C17 C18 40.1(7) . . . . ?
O1 C17 C18 S1 -52.2(9) . . . . ?
C1 S1 C18 C17 -74.9(6) . . . . ?
Pd1 S1 C18 C17 31.7(7) . . . . ?
