data_1
_audit_creation_date               2021-07-21
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number       '2018/3'
_audit_contact_author_address      ?
_audit_contact_author_email        ?
_audit_contact_author_name         ''
_audit_contact_author_phone        ?
_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. C71, 3-8.
;
_chemical_name_common              ?
_chemical_name_systematic          ?
_chemical_formula_moiety           'C19 H17 Cl N2 O Pt'
_chemical_formula_sum              'C19 H17 Cl N2 O Pt'
_chemical_formula_weight           519.89
_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'
 'Cl' 'Cl' 0.1484 0.1585 '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'

_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/n 1'
_space_group_name_Hall             '-P 2yn'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-x+1/2, y+1/2, -z+1/2'
 '-x, -y, -z'
 'x-1/2, -y-1/2, z-1/2'

_cell_length_a                     9.2499(5)
_cell_length_b                     11.5853(6)
_cell_length_c                     15.3470(8)
_cell_angle_alpha                  90
_cell_angle_beta                   103.623(2)
_cell_angle_gamma                  90
_cell_volume                       1598.36(15)
_cell_formula_units_Z              4
_cell_measurement_reflns_used      9882
_cell_measurement_temperature      150.0
_cell_measurement_theta_max        24.79
_cell_measurement_theta_min        2.73
_shelx_estimated_absorpt_T_max     0.841
_shelx_estimated_absorpt_T_min     0.328
_exptl_absorpt_coefficient_mu      8.954
_exptl_absorpt_correction_T_max    0.7451
_exptl_absorpt_correction_T_min    0.4681
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1303 before and 0.0835 after correction.
The Ratio of minimum to maximum transmission is 0.6282.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details     ?
_exptl_crystal_colour              orange
_exptl_crystal_colour_primary      orange
_exptl_crystal_density_diffrn      2.160
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         block
_exptl_crystal_F_000               992
_exptl_crystal_size_max            0.16
_exptl_crystal_size_mid            0.14
_exptl_crystal_size_min            0.02
_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_radiation_monochromator    'TRIUMPH curved--crystal'
_diffrn_reflns_av_R_equivalents    0.0642
_diffrn_reflns_av_unetI/netI       0.0330
_diffrn_reflns_Laue_measured_fraction_full  0.997
_diffrn_reflns_Laue_measured_fraction_max  0.997
_diffrn_reflns_limit_h_max         10
_diffrn_reflns_limit_h_min         -10
_diffrn_reflns_limit_k_max         13
_diffrn_reflns_limit_k_min         -13
_diffrn_reflns_limit_l_max         18
_diffrn_reflns_limit_l_min         -18
_diffrn_reflns_number              23441
_diffrn_reflns_point_group_measured_fraction_full  0.997
_diffrn_reflns_point_group_measured_fraction_max  0.997
_diffrn_reflns_reduction_process   narrow--frame
_diffrn_reflns_theta_full          24.790
_diffrn_reflns_theta_max           24.790
_diffrn_reflns_theta_min           2.731
_diffrn_ambient_temperature        150.0
_diffrn_ambient_temp_esd           2.0
_diffrn_detector_area_resol_mean   ?
_diffrn_measured_fraction_theta_full  0.997
_diffrn_measured_fraction_theta_max  0.997
_diffrn_measurement_device_type    'Bruker D8 QUEST ECO CMOS'
_diffrn_measurement_method         'φ and ω scans'
_diffrn_radiation_type             MoK\a
_diffrn_radiation_wavelength       0.71073
_diffrn_source                     'fine--focus tube'
_diffrn_standards_number           0
_reflns_Friedel_coverage           0.000
_reflns_Friedel_fraction_full      .
_reflns_Friedel_fraction_max       .
_reflns_number_gt                  2422
_reflns_number_total               2739
_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         ?
_computing_data_collection         ?
_computing_data_reduction          ?
_computing_molecular_graphics      'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement    'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution      'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max           1.745
_refine_diff_density_min           -1.521
_refine_diff_density_rms           0.197
_refine_ls_extinction_coef         .
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     1.121
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       220
_refine_ls_number_reflns           2739
_refine_ls_number_restraints       0
_refine_ls_R_factor_all            0.0419
_refine_ls_R_factor_gt             0.0351
_refine_ls_restrained_S_all        1.121
_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)+22.4255P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.0723
_refine_ls_wR_factor_ref           0.0754
_refine_special_details            ?
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C13(H13), C11(H11), C16(H16), C6(H6), C3(H3), C4(H4), C5(H5)
2.b Idealised Me refined as rotating group:
 C14(H14A,H14B,H14C), C18(H18A,H18B,H18C), C19(H19A,H19B,H19C)
;
_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 0.57275(3) 0.60549(2) 0.42994(2) 0.01667(11) Uani 1 1 d . . . . .
 Cl1 Cl 0.4818(2) 0.53358(18) 0.28664(13) 0.0302(5) Uani 1 1 d . . . . .
 O1 O 0.4277(6) 0.7331(5) 0.3933(4) 0.0237(12) Uani 1 1 d . . . . .
 N2 N 0.6597(6) 0.6640(5) 0.5535(4) 0.0156(13) Uani 1 1 d . . . . .
 N1 N 0.7184(7) 0.4785(5) 0.4679(4) 0.0182(14) Uani 1 1 d . . . . .
 C15 C 0.6013(8) 0.7513(6) 0.5889(5) 0.0180(16) Uani 1 1 d . . . . .
 C10 C 0.7873(8) 0.5987(6) 0.5979(5) 0.0162(15) Uani 1 1 d . . . . .
 C9 C 0.8150(8) 0.4990(6) 0.5522(5) 0.0158(15) Uani 1 1 d . . . . .
 C1 C 0.7325(8) 0.3863(6) 0.4220(5) 0.0177(15) Uani 1 1 d . . . . .
 H1 H 0.662383 0.372564 0.366850 0.021 Uiso 1 1 calc R U . . .
 C8 C 0.9361(8) 0.4255(6) 0.5850(5) 0.0184(16) Uani 1 1 d . . . . .
 C13 C 1.0346(8) 0.4578(7) 0.6648(5) 0.0199(17) Uani 1 1 d . . . . .
 H13 H 1.116143 0.408726 0.689707 0.024 Uiso 1 1 calc R U . . .
 C11 C 0.8919(8) 0.6288(7) 0.6746(5) 0.0204(17) Uani 1 1 d . . . . .
 H11 H 0.879298 0.697907 0.705305 0.025 Uiso 1 1 calc R U . . .
 C17 C 0.4135(8) 0.8133(7) 0.4488(5) 0.0227(17) Uani 1 1 d . . . . .
 C12 C 1.0175(9) 0.5582(7) 0.7082(5) 0.0221(17) Uani 1 1 d . . . . .
 C7 C 0.9545(8) 0.3237(6) 0.5343(5) 0.0184(16) Uani 1 1 d . . . . .
 C16 C 0.4886(8) 0.8204(7) 0.5368(6) 0.0254(18) Uani 1 1 d . . . . .
 H16 H 0.459267 0.883398 0.568393 0.030 Uiso 1 1 calc R U . . .
 C14 C 0.6418(10) 0.7797(8) 0.6878(6) 0.031(2) Uani 1 1 d . . . . .
 H14A H 0.666892 0.708521 0.722569 0.047 Uiso 1 1 calc R U . . .
 H14B H 0.557185 0.817254 0.704424 0.047 Uiso 1 1 calc R U . . .
 H14C H 0.727640 0.831902 0.700656 0.047 Uiso 1 1 calc R U . . .
 C6 C 1.0703(9) 0.2439(7) 0.5598(6) 0.0253(18) Uani 1 1 d . . . . .
 H6 H 1.143030 0.254957 0.614239 0.030 Uiso 1 1 calc R U . . .
 C2 C 0.8502(8) 0.3049(7) 0.4520(5) 0.0200(16) Uani 1 1 d . . . . .
 C18 C 0.2972(9) 0.9009(7) 0.4087(6) 0.0288(19) Uani 1 1 d . . . . .
 H18A H 0.315935 0.929609 0.352245 0.043 Uiso 1 1 calc R U . . .
 H18B H 0.301300 0.965414 0.450514 0.043 Uiso 1 1 calc R U . . .
 H18C H 0.198625 0.865028 0.397032 0.043 Uiso 1 1 calc R U . . .
 C3 C 0.8620(9) 0.2061(7) 0.3996(5) 0.0238(18) Uani 1 1 d . . . . .
 H3 H 0.789809 0.192296 0.345336 0.029 Uiso 1 1 calc R U . . .
 C19 C 1.1304(9) 0.5942(8) 0.7916(5) 0.0279(19) Uani 1 1 d . . . . .
 H19A H 1.108505 0.555680 0.843843 0.042 Uiso 1 1 calc R U . . .
 H19B H 1.125944 0.678010 0.798973 0.042 Uiso 1 1 calc R U . . .
 H19C H 1.230165 0.572227 0.786020 0.042 Uiso 1 1 calc R U . . .
 C4 C 0.9764(9) 0.1313(6) 0.4268(6) 0.0246(18) Uani 1 1 d . . . . .
 H4 H 0.985814 0.066042 0.391110 0.030 Uiso 1 1 calc R U . . .
 C5 C 1.0801(9) 0.1504(7) 0.5072(6) 0.0270(19) Uani 1 1 d . . . . .
 H5 H 1.159461 0.097182 0.526089 0.032 Uiso 1 1 calc R U . . .


_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 Cl1 2.3166(19) . ?
 Pt1 O1 1.987(5) . ?
 Pt1 N2 1.997(6) . ?
 Pt1 N1 1.987(6) . ?
 O1 C17 1.288(10) . ?
 N2 C15 1.321(9) . ?
 N2 C10 1.433(9) . ?
 N1 C9 1.409(9) . ?
 N1 C1 1.303(10) . ?
 C15 C16 1.406(11) . ?
 C15 C14 1.512(11) . ?
 C10 C9 1.406(10) . ?
 C10 C11 1.381(10) . ?
 C9 C8 1.403(10) . ?
 C1 H1 0.9500 . ?
 C1 C2 1.432(10) . ?
 C8 C13 1.395(10) . ?
 C8 C7 1.445(11) . ?
 C13 H13 0.9500 . ?
 C13 C12 1.367(11) . ?
 C11 H11 0.9500 . ?
 C11 C12 1.415(11) . ?
 C17 C16 1.368(11) . ?
 C17 C18 1.502(11) . ?
 C12 C19 1.507(11) . ?
 C7 C6 1.399(11) . ?
 C7 C2 1.414(10) . ?
 C16 H16 0.9500 . ?
 C14 H14A 0.9800 . ?
 C14 H14B 0.9800 . ?
 C14 H14C 0.9800 . ?
 C6 H6 0.9500 . ?
 C6 C5 1.366(11) . ?
 C2 C3 1.418(11) . ?
 C18 H18A 0.9800 . ?
 C18 H18B 0.9800 . ?
 C18 H18C 0.9800 . ?
 C3 H3 0.9500 . ?
 C3 C4 1.355(11) . ?
 C19 H19A 0.9800 . ?
 C19 H19B 0.9800 . ?
 C19 H19C 0.9800 . ?
 C4 H4 0.9500 . ?
 C4 C5 1.390(12) . ?
 C5 H5 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
 O1 Pt1 Cl1 85.91(16) . . ?
 O1 Pt1 N2 96.3(2) . . ?
 O1 Pt1 N1 179.4(2) . . ?
 N2 Pt1 Cl1 177.45(17) . . ?
 N1 Pt1 Cl1 94.66(18) . . ?
 N1 Pt1 N2 83.1(2) . . ?
 C17 O1 Pt1 121.1(5) . . ?
 C15 N2 Pt1 122.5(5) . . ?
 C15 N2 C10 125.4(6) . . ?
 C10 N2 Pt1 112.0(5) . . ?
 C9 N1 Pt1 112.6(5) . . ?
 C1 N1 Pt1 126.6(5) . . ?
 C1 N1 C9 120.8(6) . . ?
 N2 C15 C16 121.5(7) . . ?
 N2 C15 C14 123.4(7) . . ?
 C16 C15 C14 115.0(7) . . ?
 C9 C10 N2 115.1(6) . . ?
 C11 C10 N2 127.2(7) . . ?
 C11 C10 C9 117.4(7) . . ?
 C10 C9 N1 116.5(6) . . ?
 C8 C9 N1 120.5(7) . . ?
 C8 C9 C10 122.9(7) . . ?
 N1 C1 H1 119.0 . . ?
 N1 C1 C2 122.1(7) . . ?
 C2 C1 H1 119.0 . . ?
 C9 C8 C7 119.2(7) . . ?
 C13 C8 C9 117.0(7) . . ?
 C13 C8 C7 123.8(7) . . ?
 C8 C13 H13 119.0 . . ?
 C12 C13 C8 122.0(7) . . ?
 C12 C13 H13 119.0 . . ?
 C10 C11 H11 119.5 . . ?
 C10 C11 C12 121.0(7) . . ?
 C12 C11 H11 119.5 . . ?
 O1 C17 C16 126.1(7) . . ?
 O1 C17 C18 113.0(7) . . ?
 C16 C17 C18 120.8(8) . . ?
 C13 C12 C11 119.6(7) . . ?
 C13 C12 C19 120.8(7) . . ?
 C11 C12 C19 119.6(7) . . ?
 C6 C7 C8 124.6(7) . . ?
 C6 C7 C2 117.7(7) . . ?
 C2 C7 C8 117.7(7) . . ?
 C15 C16 H16 114.2 . . ?
 C17 C16 C15 131.6(8) . . ?
 C17 C16 H16 114.2 . . ?
 C15 C14 H14A 109.5 . . ?
 C15 C14 H14B 109.5 . . ?
 C15 C14 H14C 109.5 . . ?
 H14A C14 H14B 109.5 . . ?
 H14A C14 H14C 109.5 . . ?
 H14B C14 H14C 109.5 . . ?
 C7 C6 H6 119.6 . . ?
 C5 C6 C7 120.8(8) . . ?
 C5 C6 H6 119.6 . . ?
 C7 C2 C1 119.5(7) . . ?
 C7 C2 C3 120.2(7) . . ?
 C3 C2 C1 120.2(7) . . ?
 C17 C18 H18A 109.5 . . ?
 C17 C18 H18B 109.5 . . ?
 C17 C18 H18C 109.5 . . ?
 H18A C18 H18B 109.5 . . ?
 H18A C18 H18C 109.5 . . ?
 H18B C18 H18C 109.5 . . ?
 C2 C3 H3 120.0 . . ?
 C4 C3 C2 120.0(7) . . ?
 C4 C3 H3 120.0 . . ?
 C12 C19 H19A 109.5 . . ?
 C12 C19 H19B 109.5 . . ?
 C12 C19 H19C 109.5 . . ?
 H19A C19 H19B 109.5 . . ?
 H19A C19 H19C 109.5 . . ?
 H19B C19 H19C 109.5 . . ?
 C3 C4 H4 120.1 . . ?
 C3 C4 C5 119.8(7) . . ?
 C5 C4 H4 120.1 . . ?
 C6 C5 C4 121.5(8) . . ?
 C6 C5 H5 119.3 . . ?
 C4 C5 H5 119.3 . . ?

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 C17 C16 -1.9(11) . . . . ?
 Pt1 O1 C17 C18 -179.4(5) . . . . ?
 Pt1 N2 C15 C16 -10.5(10) . . . . ?
 Pt1 N2 C15 C14 165.4(6) . . . . ?
 Pt1 N2 C10 C9 -7.9(7) . . . . ?
 Pt1 N2 C10 C11 165.2(6) . . . . ?
 Pt1 N1 C9 C10 4.4(8) . . . . ?
 Pt1 N1 C9 C8 -172.5(5) . . . . ?
 Pt1 N1 C1 C2 174.1(5) . . . . ?
 O1 C17 C16 C15 3.5(15) . . . . ?
 N2 C15 C16 C17 3.7(14) . . . . ?
 N2 C10 C9 N1 2.3(9) . . . . ?
 N2 C10 C9 C8 179.2(7) . . . . ?
 N2 C10 C11 C12 -176.4(7) . . . . ?
 N1 C9 C8 C13 173.9(7) . . . . ?
 N1 C9 C8 C7 -4.3(10) . . . . ?
 N1 C1 C2 C7 0.5(11) . . . . ?
 N1 C1 C2 C3 -179.5(7) . . . . ?
 C15 N2 C10 C9 170.5(7) . . . . ?
 C15 N2 C10 C11 -16.4(12) . . . . ?
 C10 N2 C15 C16 171.3(7) . . . . ?
 C10 N2 C15 C14 -12.9(11) . . . . ?
 C10 C9 C8 C13 -2.8(11) . . . . ?
 C10 C9 C8 C7 178.9(7) . . . . ?
 C10 C11 C12 C13 -0.9(12) . . . . ?
 C10 C11 C12 C19 179.3(7) . . . . ?
 C9 N1 C1 C2 -3.4(11) . . . . ?
 C9 C10 C11 C12 -3.4(11) . . . . ?
 C9 C8 C13 C12 -1.8(11) . . . . ?
 C9 C8 C7 C6 179.9(7) . . . . ?
 C9 C8 C7 C2 1.5(10) . . . . ?
 C1 N1 C9 C10 -177.7(7) . . . . ?
 C1 N1 C9 C8 5.4(10) . . . . ?
 C1 C2 C3 C4 177.8(7) . . . . ?
 C8 C13 C12 C11 3.6(12) . . . . ?
 C8 C13 C12 C19 -176.6(7) . . . . ?
 C8 C7 C6 C5 -179.4(7) . . . . ?
 C8 C7 C2 C1 0.4(10) . . . . ?
 C8 C7 C2 C3 -179.6(7) . . . . ?
 C13 C8 C7 C6 1.8(12) . . . . ?
 C13 C8 C7 C2 -176.7(7) . . . . ?
 C11 C10 C9 N1 -171.5(6) . . . . ?
 C11 C10 C9 C8 5.3(11) . . . . ?
 C7 C8 C13 C12 176.4(7) . . . . ?
 C7 C6 C5 C4 0.3(12) . . . . ?
 C7 C2 C3 C4 -2.1(12) . . . . ?
 C14 C15 C16 C17 -172.5(8) . . . . ?
 C6 C7 C2 C1 -178.1(7) . . . . ?
 C6 C7 C2 C3 1.9(11) . . . . ?
 C2 C7 C6 C5 -1.0(11) . . . . ?
 C2 C3 C4 C5 1.4(12) . . . . ?
 C18 C17 C16 C15 -179.2(8) . . . . ?
 C3 C4 C5 C6 -0.5(13) . . . . ?

_olex2_submission_special_instructions  'No special instructions were received'
