data_sa5290
_audit_creation_date               2018-05-08
_audit_creation_method
;
Olex2 1.2
(compiled 2018.04.26 svn.r3504 for OlexSys, GUI svn.r5492)
;
_shelx_SHELXL_version_number       '2016/6'
_audit_contact_author_address      ?
_audit_contact_author_email        ?
_audit_contact_author_name         ''
_audit_contact_author_phone        ?
_audit_update_record
;
????
;
_publ_contact_author_id_orcid      ?
_publ_section_references
;
Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H.
 (2009), J. Appl. Cryst. 42, 339-341.

Sheldrick, G.M. (2015). Acta Cryst. A71, 3-8.

Sheldrick, G.M. (2015). Acta Cryst. C71, 3-8.
;
_chemical_name_common              ?
_chemical_name_systematic          ?
_chemical_formula_moiety           'C28 H19 N O2 Pt S'
_chemical_formula_sum              'C28 H19 N O2 Pt S'
_chemical_formula_weight           628.59
_chemical_melting_point            ?
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'
 'Pt' 'Pt' -1.7033 8.3905
 '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'

_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system        'monoclinic'
_space_group_IT_number             14
_space_group_name_H-M_alt          'P 1 21/c 1'
_space_group_name_Hall             '-P 2ybc'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-x, y+1/2, -z+1/2'
 '-x, -y, -z'
 'x, -y-1/2, z-1/2'

_cell_length_a                     11.7362(19)
_cell_length_b                     15.510(2)
_cell_length_c                     12.1799(19)
_cell_angle_alpha                  90
_cell_angle_beta                   98.288(2)
_cell_angle_gamma                  90
_cell_volume                       2194.0(6)
_cell_formula_units_Z              4
_cell_measurement_reflns_used      7159
_cell_measurement_temperature      173(2)
_cell_measurement_theta_max        27.4830
_cell_measurement_theta_min        1.3129
_shelx_estimated_absorpt_T_max     0.393
_shelx_estimated_absorpt_T_min     0.141
_exptl_absorpt_coefficient_mu      6.518
_exptl_absorpt_correction_T_max    1.00000
_exptl_absorpt_correction_T_min    0.38975
_exptl_absorpt_correction_type     Multi-scan
_exptl_absorpt_process_details    'CrystalClear (Rigaku Inc., 2007)'
_exptl_absorpt_special_details     ?
_exptl_crystal_colour              orange
_exptl_crystal_density_diffrn      1.903
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         block
_exptl_crystal_F_000               1216
_exptl_crystal_size_max            0.493
_exptl_crystal_size_mid            0.231
_exptl_crystal_size_min            0.176
_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.0424
_diffrn_reflns_av_unetI/netI       0.0332
_diffrn_reflns_Laue_measured_fraction_full  0.993
_diffrn_reflns_Laue_measured_fraction_max  0.992
_diffrn_reflns_limit_h_max         15
_diffrn_reflns_limit_h_min         -15
_diffrn_reflns_limit_k_max         19
_diffrn_reflns_limit_k_min         -20
_diffrn_reflns_limit_l_max         15
_diffrn_reflns_limit_l_min         -15
_diffrn_reflns_number              17099
_diffrn_reflns_point_group_measured_fraction_full  0.993
_diffrn_reflns_point_group_measured_fraction_max  0.992
_diffrn_reflns_theta_full          25.242
_diffrn_reflns_theta_max           27.489
_diffrn_reflns_theta_min           3.124
_diffrn_ambient_temperature        173.15
_diffrn_detector_area_resol_mean   ?
_diffrn_measured_fraction_theta_full  0.993
_diffrn_measured_fraction_theta_max  0.992
_diffrn_measurement_device_type    'Saturn724+ CCD' 
_diffrn_measurement_method        'ω scans at fixed χ = 45°'   
_diffrn_radiation_monochromator   'Graphite Monochromator'
_diffrn_radiation_type            MoK\a
_diffrn_radiation_wavelength      0.71073
_diffrn_source                    'Sealed Tube'
_reflns_Friedel_coverage           0.000
_reflns_Friedel_fraction_full      .
_reflns_Friedel_fraction_max       .
_reflns_number_gt                  4868
_reflns_number_total               5001
_reflns_special_details
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression       'I > 2σ(I)'
_computing_cell_refinement         'CrystalClear (Rigaku Inc., 2007)'
_computing_data_collection        'CrystalClear (Rigaku Inc., 2007)'
_computing_data_reduction         'CrystalClear (Rigaku Inc., 2007)'
_computing_molecular_graphics     'Olex2 (Dolomanov et al., 2009)''
_computing_publication_material   'CIFTAB (Sheldrick, 2014)'
_computing_structure_refinement    'ShelXL (Sheldrick, 2015)'
_computing_structure_solution      'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max           1.867
_refine_diff_density_min           -1.629
_refine_diff_density_rms           0.153
_refine_ls_extinction_coef         .
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     1.142
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       298
_refine_ls_number_reflns           5001
_refine_ls_number_restraints       0
_refine_ls_R_factor_all            0.0348
_refine_ls_R_factor_gt             0.0337
_refine_ls_restrained_S_all        1.142
_refine_ls_shift/su_max            0.001
_refine_ls_shift/su_mean           0.000
_refine_ls_structure_factor_coef   Fsqd
_refine_ls_weighting_details      
 'w=1/[σ²(Fo²)+(0.0410P)²+4.1453P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.0838
_refine_ls_wR_factor_ref           0.0846
_refine_special_details            ?
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C8(H8), C9(H9), C10(H10), C11(H11), C16(H16),
 C17(H17), C18(H18), C19(H19), C20(H20), C21(H21), C24(H24), C25(H25), C26(H26),
  C27(H27), C28(H28)
;
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary       dual
_atom_sites_solution_secondary     ?
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_site_symmetry_order
  _atom_site_calc_flag
  _atom_site_refinement_flags_posn
  _atom_site_refinement_flags_adp
  _atom_site_refinement_flags_occupancy
  _atom_site_disorder_assembly
  _atom_site_disorder_group
 Pt1 Pt 0.22885(2) 0.46663(2) 0.57063(2) 0.01969(7) Uani 1 1 d . . . . .
 C1 C 0.2441(4) 0.4386(3) 0.8141(4) 0.0253(8) Uani 1 1 d . . . . .
 H1 H 0.311721 0.472921 0.819278 0.030 Uiso 1 1 calc R . . . .
 S1 S -0.09491(9) 0.31270(7) 0.54349(9) 0.0260(2) Uani 1 1 d . . . . .
 O1 O 0.3659(3) 0.53378(18) 0.6545(3) 0.0248(7) Uani 1 1 d . . . . .
 N1 N 0.1860(3) 0.4212(2) 0.7136(3) 0.0211(7) Uani 1 1 d . . . . .
 O2 O 0.2625(2) 0.5102(2) 0.4236(2) 0.0240(6) Uani 1 1 d . . . . .
 C2 C 0.2087(4) 0.4079(3) 0.9108(4) 0.0286(9) Uani 1 1 d . . . . .
 H2 H 0.251428 0.420850 0.981209 0.034 Uiso 1 1 calc R . . . .
 C3 C 0.1097(4) 0.3580(3) 0.9028(4) 0.0289(9) Uani 1 1 d . . . . .
 H3 H 0.083772 0.336399 0.967833 0.035 Uiso 1 1 calc R . . . .
 C4 C 0.0489(4) 0.3399(3) 0.7991(4) 0.0260(9) Uani 1 1 d . . . . .
 H4 H -0.018427 0.305132 0.792512 0.031 Uiso 1 1 calc R . . . .
 C5 C 0.0873(3) 0.3731(3) 0.7048(4) 0.0231(8) Uani 1 1 d . . . . .
 C6 C 0.0362(3) 0.3628(3) 0.5908(3) 0.0221(8) Uani 1 1 d . . . . .
 C7 C -0.0827(4) 0.3437(3) 0.4083(4) 0.0242(8) Uani 1 1 d . . . . .
 C8 C -0.1632(4) 0.3285(3) 0.3151(4) 0.0276(9) Uani 1 1 d . . . . .
 H8 H -0.233208 0.299273 0.321094 0.033 Uiso 1 1 calc R . . . .
 C9 C -0.1392(4) 0.3569(3) 0.2135(4) 0.0327(10) Uani 1 1 d . . . . .
 H9 H -0.193539 0.347690 0.148867 0.039 Uiso 1 1 calc R . . . .
 C10 C -0.0352(4) 0.3994(3) 0.2046(4) 0.0317(10) Uani 1 1 d . . . . .
 H10 H -0.019383 0.417668 0.133909 0.038 Uiso 1 1 calc R . . . .
 C11 C 0.0444(4) 0.4148(3) 0.2976(3) 0.0260(9) Uani 1 1 d . . . . .
 H11 H 0.114586 0.443311 0.290457 0.031 Uiso 1 1 calc R . . . .
 C12 C 0.0218(3) 0.3885(3) 0.4031(3) 0.0226(8) Uani 1 1 d . . . . .
 C13 C 0.0893(3) 0.4009(3) 0.5089(3) 0.0227(8) Uani 1 1 d . . . . .
 C14 C 0.4300(3) 0.5857(3) 0.6090(3) 0.0225(8) Uani 1 1 d . . . . .
 C15 C 0.5181(3) 0.6320(3) 0.6877(4) 0.0237(8) Uani 1 1 d . . . . .
 C16 C 0.4975(4) 0.6454(3) 0.7963(4) 0.0302(10) Uani 1 1 d . . . . .
 H16 H 0.428688 0.624056 0.819103 0.036 Uiso 1 1 calc R . . . .
 C17 C 0.5767(4) 0.6895(3) 0.8712(4) 0.0346(11) Uani 1 1 d . . . . .
 H17 H 0.561545 0.699342 0.944710 0.042 Uiso 1 1 calc R . . . .
 C18 C 0.6781(4) 0.7193(3) 0.8389(4) 0.0338(10) Uani 1 1 d . . . . .
 H18 H 0.732307 0.749724 0.890132 0.041 Uiso 1 1 calc R . . . .
 C19 C 0.7000(4) 0.7050(3) 0.7329(4) 0.0311(10) Uani 1 1 d . . . . .
 H19 H 0.770134 0.725015 0.711607 0.037 Uiso 1 1 calc R . . . .
 C20 C 0.6210(4) 0.6615(3) 0.6559(4) 0.0280(9) Uani 1 1 d . . . . .
 H20 H 0.636996 0.651914 0.582565 0.034 Uiso 1 1 calc R . . . .
 C21 C 0.4205(4) 0.6024(3) 0.4945(4) 0.0256(8) Uani 1 1 d . . . . .
 H21 H 0.472625 0.643321 0.471667 0.031 Uiso 1 1 calc R . . . .
 C22 C 0.3421(3) 0.5648(3) 0.4111(3) 0.0230(8) Uani 1 1 d . . . . .
 C23 C 0.3462(4) 0.5897(3) 0.2933(3) 0.0236(8) Uani 1 1 d . . . . .
 C24 C 0.4484(4) 0.6146(3) 0.2575(4) 0.0286(9) Uani 1 1 d . . . . .
 H24 H 0.517799 0.615392 0.308437 0.034 Uiso 1 1 calc R . . . .
 C25 C 0.4497(4) 0.6383(3) 0.1483(4) 0.0331(10) Uani 1 1 d . . . . .
 H25 H 0.520069 0.654897 0.124446 0.040 Uiso 1 1 calc R . . . .
 C26 C 0.3488(4) 0.6379(4) 0.0731(4) 0.0375(11) Uani 1 1 d . . . . .
 H26 H 0.349606 0.654793 -0.001766 0.045 Uiso 1 1 calc R . . . .
 C27 C 0.2466(4) 0.6124(4) 0.1086(4) 0.0352(11) Uani 1 1 d . . . . .
 H27 H 0.177391 0.611639 0.057310 0.042 Uiso 1 1 calc R . . . .
 C28 C 0.2442(4) 0.5882(3) 0.2175(4) 0.0292(9) Uani 1 1 d . . . . .
 H28 H 0.173938 0.570651 0.240822 0.035 Uiso 1 1 calc R . . . .


_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
 Pt1 O1 2.059(3) . ?
 Pt1 N1 2.009(3) . ?
 Pt1 O2 2.005(3) . ?
 Pt1 C13 1.983(4) . ?
 C1 H1 0.9500 . ?
 C1 N1 1.339(5) . ?
 C1 C2 1.389(6) . ?
 S1 C6 1.746(4) . ?
 S1 C7 1.741(4) . ?
 O1 C14 1.281(5) . ?
 N1 C5 1.369(5) . ?
 O2 C22 1.287(5) . ?
 C2 H2 0.9500 . ?
 C2 C3 1.388(6) . ?
 C3 H3 0.9500 . ?
 C3 C4 1.387(6) . ?
 C4 H4 0.9500 . ?
 C4 C5 1.392(6) . ?
 C5 C6 1.440(6) . ?
 C6 C13 1.383(6) . ?
 C7 C8 1.388(6) . ?
 C7 C12 1.420(6) . ?
 C8 H8 0.9500 . ?
 C8 C9 1.381(7) . ?
 C9 H9 0.9500 . ?
 C9 C10 1.405(7) . ?
 C10 H10 0.9500 . ?
 C10 C11 1.381(6) . ?
 C11 H11 0.9500 . ?
 C11 C12 1.409(6) . ?
 C12 C13 1.425(6) . ?
 C14 C15 1.489(6) . ?
 C14 C21 1.407(6) . ?
 C15 C16 1.394(6) . ?
 C15 C20 1.397(6) . ?
 C16 H16 0.9500 . ?
 C16 C17 1.387(6) . ?
 C17 H17 0.9500 . ?
 C17 C18 1.385(7) . ?
 C18 H18 0.9500 . ?
 C18 C19 1.370(7) . ?
 C19 H19 0.9500 . ?
 C19 C20 1.395(6) . ?
 C20 H20 0.9500 . ?
 C21 H21 0.9500 . ?
 C21 C22 1.396(6) . ?
 C22 C23 1.494(6) . ?
 C23 C24 1.388(6) . ?
 C23 C28 1.402(6) . ?
 C24 H24 0.9500 . ?
 C24 C25 1.383(6) . ?
 C25 H25 0.9500 . ?
 C25 C26 1.389(7) . ?
 C26 H26 0.9500 . ?
 C26 C27 1.390(7) . ?
 C27 H27 0.9500 . ?
 C27 C28 1.383(6) . ?
 C28 H28 0.9500 . ?

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 Pt1 O1 91.30(13) . . ?
 O2 Pt1 O1 91.84(12) . . ?
 O2 Pt1 N1 176.70(12) . . ?
 C13 Pt1 O1 172.47(15) . . ?
 C13 Pt1 N1 81.49(16) . . ?
 C13 Pt1 O2 95.33(15) . . ?
 N1 C1 H1 119.0 . . ?
 N1 C1 C2 122.0(4) . . ?
 C2 C1 H1 119.0 . . ?
 C7 S1 C6 90.1(2) . . ?
 C14 O1 Pt1 124.7(3) . . ?
 C1 N1 Pt1 124.3(3) . . ?
 C1 N1 C5 119.7(4) . . ?
 C5 N1 Pt1 115.9(3) . . ?
 C22 O2 Pt1 124.6(3) . . ?
 C1 C2 H2 120.6 . . ?
 C3 C2 C1 118.7(4) . . ?
 C3 C2 H2 120.6 . . ?
 C2 C3 H3 120.2 . . ?
 C4 C3 C2 119.6(4) . . ?
 C4 C3 H3 120.2 . . ?
 C3 C4 H4 120.3 . . ?
 C3 C4 C5 119.4(4) . . ?
 C5 C4 H4 120.3 . . ?
 N1 C5 C4 120.5(4) . . ?
 N1 C5 C6 111.5(4) . . ?
 C4 C5 C6 127.9(4) . . ?
 C5 C6 S1 126.4(3) . . ?
 C13 C6 S1 114.8(3) . . ?
 C13 C6 C5 118.7(4) . . ?
 C8 C7 S1 126.0(3) . . ?
 C8 C7 C12 122.5(4) . . ?
 C12 C7 S1 111.5(3) . . ?
 C7 C8 H8 120.8 . . ?
 C9 C8 C7 118.4(4) . . ?
 C9 C8 H8 120.8 . . ?
 C8 C9 H9 119.6 . . ?
 C8 C9 C10 120.7(4) . . ?
 C10 C9 H9 119.6 . . ?
 C9 C10 H10 119.7 . . ?
 C11 C10 C9 120.7(4) . . ?
 C11 C10 H10 119.7 . . ?
 C10 C11 H11 119.9 . . ?
 C10 C11 C12 120.3(4) . . ?
 C12 C11 H11 119.9 . . ?
 C7 C12 C13 113.3(4) . . ?
 C11 C12 C7 117.4(4) . . ?
 C11 C12 C13 129.3(4) . . ?
 C6 C13 Pt1 112.3(3) . . ?
 C6 C13 C12 110.2(4) . . ?
 C12 C13 Pt1 137.1(3) . . ?
 O1 C14 C15 114.9(4) . . ?
 O1 C14 C21 125.2(4) . . ?
 C21 C14 C15 119.9(4) . . ?
 C16 C15 C14 118.9(4) . . ?
 C16 C15 C20 119.4(4) . . ?
 C20 C15 C14 121.7(4) . . ?
 C15 C16 H16 119.8 . . ?
 C17 C16 C15 120.4(4) . . ?
 C17 C16 H16 119.8 . . ?
 C16 C17 H17 120.0 . . ?
 C18 C17 C16 120.0(5) . . ?
 C18 C17 H17 120.0 . . ?
 C17 C18 H18 120.0 . . ?
 C19 C18 C17 120.0(4) . . ?
 C19 C18 H18 120.0 . . ?
 C18 C19 H19 119.5 . . ?
 C18 C19 C20 121.0(4) . . ?
 C20 C19 H19 119.5 . . ?
 C15 C20 H20 120.4 . . ?
 C19 C20 C15 119.3(4) . . ?
 C19 C20 H20 120.4 . . ?
 C14 C21 H21 116.8 . . ?
 C22 C21 C14 126.4(4) . . ?
 C22 C21 H21 116.8 . . ?
 O2 C22 C21 127.1(4) . . ?
 O2 C22 C23 114.1(4) . . ?
 C21 C22 C23 118.8(4) . . ?
 C24 C23 C22 121.5(4) . . ?
 C24 C23 C28 119.5(4) . . ?
 C28 C23 C22 119.0(4) . . ?
 C23 C24 H24 119.8 . . ?
 C25 C24 C23 120.3(4) . . ?
 C25 C24 H24 119.8 . . ?
 C24 C25 H25 119.8 . . ?
 C24 C25 C26 120.5(4) . . ?
 C26 C25 H25 119.8 . . ?
 C25 C26 H26 120.4 . . ?
 C25 C26 C27 119.2(4) . . ?
 C27 C26 H26 120.4 . . ?
 C26 C27 H27 119.6 . . ?
 C28 C27 C26 120.9(4) . . ?
 C28 C27 H27 119.6 . . ?
 C23 C28 H28 120.2 . . ?
 C27 C28 C23 119.6(4) . . ?
 C27 C28 H28 120.2 . . ?

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
  _geom_torsion_site_symmetry_2
  _geom_torsion_site_symmetry_3
  _geom_torsion_site_symmetry_4
  _geom_torsion_publ_flag
 Pt1 O1 C14 C15 175.4(3) . . . . ?
 Pt1 O1 C14 C21 -2.9(6) . . . . ?
 Pt1 N1 C5 C4 -178.9(3) . . . . ?
 Pt1 N1 C5 C6 2.1(4) . . . . ?
 Pt1 O2 C22 C21 1.5(6) . . . . ?
 Pt1 O2 C22 C23 -177.5(3) . . . . ?
 C1 N1 C5 C4 -2.0(6) . . . . ?
 C1 N1 C5 C6 178.9(4) . . . . ?
 C1 C2 C3 C4 0.1(7) . . . . ?
 S1 C6 C13 Pt1 174.0(2) . . . . ?
 S1 C6 C13 C12 -0.6(5) . . . . ?
 S1 C7 C8 C9 -179.4(3) . . . . ?
 S1 C7 C12 C11 178.0(3) . . . . ?
 S1 C7 C12 C13 -2.6(5) . . . . ?
 O1 C14 C15 C16 -26.0(6) . . . . ?
 O1 C14 C15 C20 153.3(4) . . . . ?
 O1 C14 C21 C22 -1.2(7) . . . . ?
 N1 C1 C2 C3 -0.2(7) . . . . ?
 N1 C5 C6 S1 -175.2(3) . . . . ?
 N1 C5 C6 C13 -0.5(5) . . . . ?
 O2 C22 C23 C24 -151.1(4) . . . . ?
 O2 C22 C23 C28 29.1(6) . . . . ?
 C2 C1 N1 Pt1 177.8(3) . . . . ?
 C2 C1 N1 C5 1.2(6) . . . . ?
 C2 C3 C4 C5 -0.9(7) . . . . ?
 C3 C4 C5 N1 1.9(6) . . . . ?
 C3 C4 C5 C6 -179.2(4) . . . . ?
 C4 C5 C6 S1 5.8(7) . . . . ?
 C4 C5 C6 C13 -179.5(4) . . . . ?
 C5 C6 C13 Pt1 -1.3(5) . . . . ?
 C5 C6 C13 C12 -176.0(4) . . . . ?
 C6 S1 C7 C8 -177.6(4) . . . . ?
 C6 S1 C7 C12 1.8(3) . . . . ?
 C7 S1 C6 C5 174.2(4) . . . . ?
 C7 S1 C6 C13 -0.7(3) . . . . ?
 C7 C8 C9 C10 0.6(7) . . . . ?
 C7 C12 C13 Pt1 -170.7(3) . . . . ?
 C7 C12 C13 C6 2.0(5) . . . . ?
 C8 C7 C12 C11 -2.6(6) . . . . ?
 C8 C7 C12 C13 176.9(4) . . . . ?
 C8 C9 C10 C11 -1.1(7) . . . . ?
 C9 C10 C11 C12 -0.4(7) . . . . ?
 C10 C11 C12 C7 2.1(6) . . . . ?
 C10 C11 C12 C13 -177.3(4) . . . . ?
 C11 C12 C13 Pt1 8.7(8) . . . . ?
 C11 C12 C13 C6 -178.6(4) . . . . ?
 C12 C7 C8 C9 1.2(7) . . . . ?
 C14 C15 C16 C17 -178.9(4) . . . . ?
 C14 C15 C20 C19 179.5(4) . . . . ?
 C14 C21 C22 O2 2.1(8) . . . . ?
 C14 C21 C22 C23 -179.0(4) . . . . ?
 C15 C14 C21 C22 -179.4(4) . . . . ?
 C15 C16 C17 C18 -1.2(8) . . . . ?
 C16 C15 C20 C19 -1.2(7) . . . . ?
 C16 C17 C18 C19 -0.1(8) . . . . ?
 C17 C18 C19 C20 0.8(7) . . . . ?
 C18 C19 C20 C15 -0.1(7) . . . . ?
 C20 C15 C16 C17 1.8(7) . . . . ?
 C21 C14 C15 C16 152.4(4) . . . . ?
 C21 C14 C15 C20 -28.4(6) . . . . ?
 C21 C22 C23 C24 29.8(6) . . . . ?
 C21 C22 C23 C28 -149.9(4) . . . . ?
 C22 C23 C24 C25 -179.3(4) . . . . ?
 C22 C23 C28 C27 179.0(4) . . . . ?
 C23 C24 C25 C26 0.3(8) . . . . ?
 C24 C23 C28 C27 -0.7(7) . . . . ?
 C24 C25 C26 C27 -0.8(8) . . . . ?
 C25 C26 C27 C28 0.4(8) . . . . ?
 C26 C27 C28 C23 0.3(8) . . . . ?
 C28 C23 C24 C25 0.4(7) . . . . ?

_olex2_submission_special_instructions  'No special instructions were received'
