#------------------------------------------------------------------------------
#$Date: 2016-03-21 02:44:46 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178404 $
#$URL: svn://www.crystallography.net/cod/cif/4/02/25/4022582.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_4022582
loop_
_publ_author_name
'Ki-Whan Chi'
'Chris Addicott'
'Atta M. Arif'
'Neeladri Das'
'Peter J. Stang'
_publ_section_title
;
 Bidentate Ligands Capable of Variable Bond Angles
 in the Self-Assembly of Discrete Supramolecules
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              9798
_journal_page_last               9801
_journal_paper_doi               10.1021/jo0353785
_journal_volume                  68
_journal_year                    2003
_chemical_formula_sum            'C45 H55 F12 N5 O14 P4 Pt2 S4'
_chemical_formula_weight         1760.24
_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                96.0857(16)
_cell_angle_beta                 99.7545(12)
_cell_angle_gamma                100.5578(16)
_cell_formula_units_Z            1
_cell_length_a                   8.7232(3)
_cell_length_b                   8.9406(2)
_cell_length_c                   21.7964(6)
_cell_measurement_reflns_used    4193
_cell_measurement_temperature    150(1)
_cell_measurement_theta_max      27.485
_cell_measurement_theta_min      1.018
_cell_volume                     1630.41(8)
_computing_cell_refinement       DENZO-SMN
_computing_data_collection       'Nonius COLLECT'
_computing_data_reduction        DENZO-SMN
_computing_molecular_graphics    'WinGX, Ortep3'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SIR97
_diffrn_ambient_temperature      150(1)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Nonius KappaCCD Diffractometer'
_diffrn_measurement_method       'Phi plus Omega scan'
_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  0.0231
_diffrn_reflns_av_sigmaI/netI    0.0448
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            10765
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.65
_exptl_absorpt_coefficient_mu    4.606
_exptl_absorpt_correction_T_max  0.6559
_exptl_absorpt_correction_T_min  0.3387
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'DENZO-SMN (Otwinowski & Minor, 1997)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.793
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             860
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.794
_refine_diff_density_min         -1.336
_refine_diff_density_rms         0.136
_refine_ls_extinction_coef       0.0014(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.089
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     426
_refine_ls_number_reflns         7441
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.089
_refine_ls_R_factor_all          0.0472
_refine_ls_R_factor_gt           0.0382
_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)+(0.0252P)²+6.1004P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0824
_refine_ls_wR_factor_ref         0.0870
_reflns_number_gt                6657
_reflns_number_total             7441
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            jo0353785si20030919_033423.cif
_cod_data_source_block           pjs185
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' 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_database_code               4022582
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
Pt1 Pt 0.48456(2) 0.04343(2) 0.209523(8) 0.02525(8) Uani 1 1 d . . .
P1 P 0.49941(16) -0.17046(14) 0.14727(6) 0.0277(3) Uani 1 1 d . . .
P2 P 0.27260(15) 0.09392(14) 0.14626(6) 0.0284(3) Uani 1 1 d . . .
N1 N 0.4875(5) 0.2320(5) 0.27745(19) 0.0284(9) Uani 1 1 d . . .
N2 N 0.3160(5) -0.0206(5) 0.72508(18) 0.0270(8) Uani 1 1 d . . .
C1 C 0.5739(7) 0.3717(6) 0.2779(2) 0.0368(12) Uani 1 1 d . . .
H1 H 0.6268 0.3916 0.2441 0.044 Uiso 1 1 calc R . .
C2 C 0.5874(9) 0.4875(7) 0.3266(3) 0.0508(17) Uani 1 1 d . . .
H2 H 0.6464 0.5873 0.3254 0.061 Uiso 1 1 calc R . .
C3 C 0.5162(9) 0.4596(7) 0.3767(3) 0.0529(17) Uani 1 1 d . . .
H3 H 0.5247 0.5395 0.4103 0.063 Uiso 1 1 calc R . .
C4 C 0.4311(8) 0.3122(6) 0.3778(2) 0.0387(13) Uani 1 1 d . . .
C5 C 0.4178(6) 0.2024(6) 0.3266(2) 0.0310(11) Uani 1 1 d . . .
H5 H 0.3573 0.1023 0.3261 0.037 Uiso 1 1 calc R . .
C6 C 0.3634(8) 0.2698(7) 0.4306(3) 0.0426(14) Uani 1 1 d . . .
C7 C 0.3180(8) 0.2268(7) 0.4755(2) 0.0416(13) Uani 1 1 d . . .
C8 C 0.2724(8) 0.1718(7) 0.5275(3) 0.0404(13) Uani 1 1 d . . .
C9 C 0.2390(7) 0.1227(7) 0.5732(3) 0.0387(12) Uani 1 1 d . . .
C10 C 0.2070(7) 0.0518(6) 0.6270(2) 0.0349(12) Uani 1 1 d . . .
C11 C 0.0562(7) -0.0190(7) 0.6330(3) 0.0431(13) Uani 1 1 d . . .
H11 H -0.0338 -0.0168 0.6020 0.052 Uiso 1 1 calc R . .
C12 C 0.0381(7) -0.0928(7) 0.6848(3) 0.0429(14) Uani 1 1 d . . .
H12 H -0.0645 -0.1424 0.6894 0.051 Uiso 1 1 calc R . .
C13 C 0.1694(7) -0.0940(6) 0.7294(3) 0.0342(12) Uani 1 1 d . . .
H13 H 0.1567 -0.1478 0.7641 0.041 Uiso 1 1 calc R . .
C14 C 0.3348(7) 0.0498(6) 0.6749(2) 0.0315(11) Uani 1 1 d . . .
H14 H 0.4384 0.0999 0.6717 0.038 Uiso 1 1 calc R . .
C15 C 0.6042(8) -0.2918(6) 0.1919(3) 0.0439(14) Uani 1 1 d . . .
H15A H 0.5525 -0.3165 0.2272 0.066 Uiso 1 1 calc R . .
H15B H 0.7145 -0.2380 0.2080 0.066 Uiso 1 1 calc R . .
H15C H 0.6027 -0.3869 0.1647 0.066 Uiso 1 1 calc R . .
C16 C 0.3161(7) -0.2999(6) 0.1096(3) 0.0393(13) Uani 1 1 d . . .
H16A H 0.3395 -0.3944 0.0896 0.059 Uiso 1 1 calc R . .
H16B H 0.2581 -0.2509 0.0776 0.059 Uiso 1 1 calc R . .
H16C H 0.2510 -0.3249 0.1410 0.059 Uiso 1 1 calc R . .
C17 C 0.6096(7) -0.1316(6) 0.0857(3) 0.0350(12) Uani 1 1 d . . .
H17A H 0.6208 -0.2288 0.0633 0.053 Uiso 1 1 calc R . .
H17B H 0.7151 -0.0691 0.1041 0.053 Uiso 1 1 calc R . .
H17C H 0.5526 -0.0759 0.0561 0.053 Uiso 1 1 calc R . .
C18 C 0.0862(7) -0.0280(7) 0.1506(3) 0.0515(16) Uani 1 1 d . . .
H18A H 0.0778 -0.0303 0.1948 0.077 Uiso 1 1 calc R . .
H18B H 0.0817 -0.1324 0.1304 0.077 Uiso 1 1 calc R . .
H18C H -0.0020 0.0126 0.1291 0.077 Uiso 1 1 calc R . .
C19 C 0.2442(7) 0.2864(6) 0.1674(3) 0.0405(13) Uani 1 1 d . . .
H19A H 0.3393 0.3608 0.1644 0.061 Uiso 1 1 calc R . .
H19B H 0.2258 0.2984 0.2106 0.061 Uiso 1 1 calc R . .
H19C H 0.1522 0.3044 0.1387 0.061 Uiso 1 1 calc R . .
C20 C 0.2759(7) 0.0873(6) 0.0635(2) 0.0366(12) Uani 1 1 d . . .
H20A H 0.1783 0.1129 0.0417 0.055 Uiso 1 1 calc R . .
H20B H 0.2832 -0.0163 0.0460 0.055 Uiso 1 1 calc R . .
H20C H 0.3681 0.1616 0.0577 0.055 Uiso 1 1 calc R . .
S1 S 0.73232(15) 0.30048(14) 0.09848(6) 0.0295(3) Uani 1 1 d . . .
O1 O 0.8420(5) 0.2375(5) 0.1400(2) 0.0546(12) Uani 1 1 d . . .
O2 O 0.6157(5) 0.3589(5) 0.1272(2) 0.0483(11) Uani 1 1 d . . .
O3 O 0.6725(5) 0.2103(5) 0.03792(19) 0.0473(10) Uani 1 1 d . . .
F1 F 0.9755(5) 0.4354(5) 0.0552(2) 0.0630(11) Uani 1 1 d . . .
F2 F 0.9178(6) 0.5735(5) 0.1307(2) 0.0774(14) Uani 1 1 d . . .
F3 F 0.7731(5) 0.5399(4) 0.03861(19) 0.0599(10) Uani 1 1 d . . .
C21 C 0.8555(7) 0.4718(7) 0.0803(3) 0.0403(13) Uani 1 1 d . . .
S2 S 0.2201(3) 0.7294(2) 0.30222(12) 0.0747(6) Uani 1 1 d . . .
O4 O 0.2856(9) 0.6547(8) 0.2568(3) 0.105(2) Uani 1 1 d . A .
O5 O 0.3397(14) 0.737(2) 0.3654(8) 0.085(5) Uani 0.50 1 d P A 1
O6 O 0.1835(19) 0.8669(11) 0.2939(9) 0.075(4) Uani 0.50 1 d P A 1
F4 F -0.0164(7) 0.6463(7) 0.3557(3) 0.111(2) Uani 1 1 d . . .
F5 F 0.077(4) 0.4669(16) 0.3194(17) 0.158(14) Uani 0.50 1 d P A 1
F6 F -0.039(3) 0.621(5) 0.2614(14) 0.216(18) Uani 0.50 1 d P A 1
C22 C 0.0580(11) 0.5940(11) 0.3105(5) 0.077(2) Uani 1 1 d . A .
O5' O 0.262(3) 0.829(4) 0.3460(11) 0.203(16) Uani 0.50 1 d P A 2
O6' O 0.100(5) 0.811(5) 0.2630(18) 0.240(17) Uiso 0.50 1 d P A 2
F5' F 0.116(4) 0.482(3) 0.3404(14) 0.152(12) Uani 0.50 1 d P A 2
F6' F -0.043(3) 0.533(4) 0.2629(9) 0.166(15) Uani 0.50 1 d P A 2
O7 O 0.781(3) 0.290(3) 0.5000(13) 0.196(10) Uiso 0.50 1 d P B -1
O8 O 0.799(2) 0.305(2) 0.4101(9) 0.128(6) Uiso 0.50 1 d P B -1
N3 N 0.863(3) 0.334(3) 0.4648(12) 0.122(7) Uiso 0.50 1 d PD B -1
C23 C 1.018(5) 0.447(6) 0.491(4) 0.30(3) Uiso 0.50 1 d PD B -1
H23A H 1.0934 0.4376 0.4626 0.456 Uiso 0.50 1 calc PR B -1
H23B H 1.0636 0.4259 0.5326 0.456 Uiso 0.50 1 calc PR B -1
H23C H 0.9988 0.5522 0.4944 0.456 Uiso 0.50 1 calc PR B -1
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'
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'
Pt Pt -1.7033 8.3905 '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 Pt1 N1 82.15(16) 2_656 .
N2 Pt1 P2 173.43(11) 2_656 .
N1 Pt1 P2 91.37(12) . .
N2 Pt1 P1 90.91(11) 2_656 .
N1 Pt1 P1 172.50(11) . .
P2 Pt1 P1 95.62(5) . .
C15 P1 C16 102.7(3) . .
C15 P1 C17 104.4(3) . .
C16 P1 C17 105.9(3) . .
C15 P1 Pt1 110.84(19) . .
C16 P1 Pt1 117.89(19) . .
C17 P1 Pt1 113.66(18) . .
C20 P2 C19 102.4(3) . .
C20 P2 C18 105.5(3) . .
C19 P2 C18 104.2(3) . .
C20 P2 Pt1 117.87(19) . .
C19 P2 Pt1 111.9(2) . .
C18 P2 Pt1 113.6(2) . .
C1 N1 C5 119.4(4) . .
C1 N1 Pt1 122.5(3) . .
C5 N1 Pt1 117.4(3) . .
C14 N2 C13 119.2(5) . .
C14 N2 Pt1 120.5(4) . 2_656
C13 N2 Pt1 119.8(3) . 2_656
N1 C1 C2 121.0(5) . .
C3 C2 C1 120.3(6) . .
C2 C3 C4 119.0(5) . .
C5 C4 C3 117.9(5) . .
C5 C4 C6 119.4(5) . .
C3 C4 C6 122.7(5) . .
N1 C5 C4 122.4(5) . .
C7 C6 C4 173.8(7) . .
C6 C7 C8 176.5(7) . .
C9 C8 C7 177.3(7) . .
C8 C9 C10 174.3(6) . .
C11 C10 C14 118.2(5) . .
C11 C10 C9 123.4(5) . .
C14 C10 C9 118.4(5) . .
C12 C11 C10 119.2(5) . .
C13 C12 C11 119.6(5) . .
N2 C13 C12 121.6(5) . .
N2 C14 C10 122.1(5) . .
O2 S1 O3 114.9(3) . .
O2 S1 O1 114.6(3) . .
O3 S1 O1 114.7(3) . .
O2 S1 C21 103.8(3) . .
O3 S1 C21 102.8(3) . .
O1 S1 C21 103.7(3) . .
F2 C21 F3 108.0(5) . .
F2 C21 F1 107.4(5) . .
F3 C21 F1 106.9(5) . .
F2 C21 S1 112.1(4) . .
F3 C21 S1 111.6(4) . .
F1 C21 S1 110.7(4) . .
O5' S2 O6 62.9(19) . .
O5' S2 O4 138.6(11) . .
O6 S2 O4 119.0(7) . .
O5' S2 O5 50(2) . .
O6 S2 O5 112.2(11) . .
O4 S2 O5 104.5(6) . .
O5' S2 O6' 96(2) . .
O6 S2 O6' 36.2(14) . .
O4 S2 O6' 103.7(15) . .
O5 S2 O6' 146.4(16) . .
O5' S2 C22 112.6(10) . .
O6 S2 C22 112.7(7) . .
O4 S2 C22 104.2(5) . .
O5 S2 C22 102.6(8) . .
O6' S2 C22 87.7(17) . .
F5 C22 F6' 88(2) . .
F5 C22 F6 124(2) . .
F6' C22 F6 36(2) . .
F5 C22 F4 107.4(16) . .
F6' C22 F4 109.2(16) . .
F6 C22 F4 97.6(16) . .
F5 C22 F5' 22(2) . .
F6' C22 F5' 110(2) . .
F6 C22 F5' 145(2) . .
F4 C22 F5' 97.8(13) . .
F5 C22 S2 118.9(15) . .
F6' C22 S2 118.8(12) . .
F6 C22 S2 95.4(17) . .
F4 C22 S2 112.0(6) . .
F5' C22 S2 107.4(13) . .
O7 N3 O8 115(3) . .
O7 N3 C23 119(4) . .
O8 N3 C23 125(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 N2 2.110(4) 2_656
Pt1 N1 2.116(4) .
Pt1 P2 2.2578(13) .
Pt1 P1 2.2616(12) .
P1 C15 1.801(6) .
P1 C16 1.802(6) .
P1 C17 1.806(5) .
P2 C20 1.805(5) .
P2 C19 1.806(5) .
P2 C18 1.807(6) .
N1 C1 1.333(6) .
N1 C5 1.346(6) .
N2 C14 1.338(6) .
N2 C13 1.349(7) .
N2 Pt1 2.110(4) 2_656
C1 C2 1.376(8) .
C2 C3 1.368(9) .
C3 C4 1.394(8) .
C4 C5 1.379(7) .
C4 C6 1.435(8) .
C6 C7 1.191(8) .
C7 C8 1.372(8) .
C8 C9 1.189(8) .
C9 C10 1.434(7) .
C10 C11 1.386(8) .
C10 C14 1.396(8) .
C11 C12 1.382(8) .
C12 C13 1.374(8) .
S1 O2 1.429(4) .
S1 O3 1.432(4) .
S1 O1 1.437(4) .
S1 C21 1.824(6) .
F1 C21 1.334(7) .
F2 C21 1.318(7) .
F3 C21 1.330(7) .
S2 O5' 1.194(19) .
S2 O6 1.348(10) .
S2 O4 1.394(6) .
S2 O5 1.567(15) .
S2 O6' 1.57(4) .
S2 C22 1.733(9) .
F4 C22 1.357(10) .
F5 C22 1.21(2) .
F6 C22 1.32(3) .
C22 F6' 1.243(19) .
C22 F5' 1.37(2) .
O7 N3 1.18(3) .
O8 N3 1.21(2) .
N3 C23 1.52(2) .
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
N2 Pt1 P1 C15 22.7(3) 2_656
N1 Pt1 P1 C15 0.5(10) .
P2 Pt1 P1 C15 -158.1(2) .
N2 Pt1 P1 C16 140.5(2) 2_656
N1 Pt1 P1 C16 118.4(9) .
P2 Pt1 P1 C16 -40.2(2) .
N2 Pt1 P1 C17 -94.6(2) 2_656
N1 Pt1 P1 C17 -116.7(9) .
P2 Pt1 P1 C17 84.6(2) .
N2 Pt1 P2 C20 126.1(10) 2_656
N1 Pt1 P2 C20 135.4(2) .
P1 Pt1 P2 C20 -47.3(2) .
N2 Pt1 P2 C19 7.8(10) 2_656
N1 Pt1 P2 C19 17.2(2) .
P1 Pt1 P2 C19 -165.6(2) .
N2 Pt1 P2 C18 -109.8(10) 2_656
N1 Pt1 P2 C18 -100.4(3) .
P1 Pt1 P2 C18 76.9(2) .
N2 Pt1 N1 C1 87.1(4) 2_656
P2 Pt1 N1 C1 -91.8(4) .
P1 Pt1 N1 C1 109.4(9) .
N2 Pt1 N1 C5 -83.1(4) 2_656
P2 Pt1 N1 C5 98.0(4) .
P1 Pt1 N1 C5 -60.7(11) .
C5 N1 C1 C2 -2.6(8) .
Pt1 N1 C1 C2 -172.6(5) .
N1 C1 C2 C3 2.2(10) .
C1 C2 C3 C4 0.4(11) .
C2 C3 C4 C5 -2.4(10) .
C2 C3 C4 C6 175.0(6) .
C1 N1 C5 C4 0.5(8) .
Pt1 N1 C5 C4 171.0(4) .
C3 C4 C5 N1 2.0(9) .
C6 C4 C5 N1 -175.5(5) .
C5 C4 C6 C7 69(6) .
C3 C4 C6 C7 -108(6) .
C4 C6 C7 C8 -5(16) .
C6 C7 C8 C9 23(22) .
C7 C8 C9 C10 -40(18) .
C8 C9 C10 C11 -113(7) .
C8 C9 C10 C14 65(7) .
C14 C10 C11 C12 -2.0(9) .
C9 C10 C11 C12 175.9(6) .
C10 C11 C12 C13 0.4(9) .
C14 N2 C13 C12 -2.7(8) .
Pt1 N2 C13 C12 -174.4(4) 2_656
C11 C12 C13 N2 2.1(9) .
C13 N2 C14 C10 1.0(7) .
Pt1 N2 C14 C10 172.6(4) 2_656
C11 C10 C14 N2 1.4(8) .
C9 C10 C14 N2 -176.7(5) .
O2 S1 C21 F2 57.6(5) .
O3 S1 C21 F2 177.6(5) .
O1 S1 C21 F2 -62.5(5) .
O2 S1 C21 F3 -63.7(5) .
O3 S1 C21 F3 56.4(5) .
O1 S1 C21 F3 176.2(4) .
O2 S1 C21 F1 177.3(4) .
O3 S1 C21 F1 -62.6(5) .
O1 S1 C21 F1 57.3(5) .
O5' S2 C22 F5 -110(3) .
O6 S2 C22 F5 -179(2) .
O4 S2 C22 F5 51(2) .
O5 S2 C22 F5 -58(2) .
O6' S2 C22 F5 155(2) .
O5' S2 C22 F6' 145(3) .
O6 S2 C22 F6' 76(2) .
O4 S2 C22 F6' -54(2) .
O5 S2 C22 F6' -163(2) .
O6' S2 C22 F6' 50(3) .
O5' S2 C22 F6 117(3) .
O6 S2 C22 F6 48.1(19) .
O4 S2 C22 F6 -82.3(18) .
O5 S2 C22 F6 168.9(18) .
O6' S2 C22 F6 21(2) .
O5' S2 C22 F4 17(2) .
O6 S2 C22 F4 -52.4(12) .
O4 S2 C22 F4 177.2(7) .
O5 S2 C22 F4 68.4(9) .
O6' S2 C22 F4 -79.2(16) .
O5' S2 C22 F5' -90(3) .
O6 S2 C22 F5' -158.7(16) .
O4 S2 C22 F5' 70.9(15) .
O5 S2 C22 F5' -37.9(15) .
O6' S2 C22 F5' 174(2) .
