<i>trans</i>-Dichlorido{3,4-dimethoxy-2-[(2,3-η)-prop-2-en-1-yl]benzene}(pyridine-κ<i>N</i>)platinum(II)
Bui, Thi Yen Hang; Nguyen Thi Thanh, Chi; Van Meervelt, Luc; IUCrData 1 (2016) x152176–; doi:10.1107/S2414314615021768

data_1542476
_publ_section_title
;
 <i>trans</i>-Dichlorido{3,4-dimethoxy-2-[(2,3-\h)-prop-2-en-1-yl]benzene}(pyridine-\k<i>N</i>)platinum(II)
;
_journal_coeditor_code           SU4003
_journal_issue                   1
_journal_name_full               IUCrData
_journal_page_first              x152176
_journal_paper_doi               10.1107/S2414314615021768
_journal_volume                  1
_journal_year                    2016
_chemical_formula_iupac          '[Pt Cl2 (C5 H5 N) (C11 H14 O2)]'
_chemical_formula_moiety         'C16 H19 Cl2 N O2 Pt'
_chemical_formula_sum            'C16 H19 Cl2 N O2 Pt'
_chemical_formula_weight         523.31
_chemical_name_systematic
<i>trans</i>-Dichlorido{3,4-dimethoxy-2-[(2,3-\h)-prop-2-en-1-yl]benzene}(pyridine-\k<i>N</i>)platinum(II)
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method
;
Olex2 1.2
(compiled 2015.09.30 svn.r3233 for OlexSys, GUI svn.r5103)
;
_cell_angle_alpha                90
_cell_angle_beta                 108.013(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.1282(5)
_cell_length_b                   7.25666(17)
_cell_length_c                   16.3038(5)
_cell_measurement_reflns_used    4267
_cell_measurement_temperature    95(2)
_cell_measurement_theta_max      28.9780
_cell_measurement_theta_min      3.0960
_cell_volume                     1702.11(9)
_computing_cell_refinement
;
CrysAlisPro (Agilent, 2012)
;
_computing_data_collection
;
CrysAlisPro (Agilent, 2012)
;
_computing_data_reduction
;
CrysAlisPro (Agilent, 2012)
;
_computing_molecular_graphics
;
<i>OLEX2</i> (Dolomanov <i>et al.</i>,  2009)
;
_computing_publication_material
;
<i>OLEX2</i> (Dolomanov <i>et al.</i>,  2009)
;
_computing_structure_refinement
;
SHELXL-2014 (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS-2014 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      95.15
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type
;
Agilent SuperNova (single source at offset,
 Eos CCD detector) diffractometer
;
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0233
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            6822
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.371
_diffrn_reflns_theta_min         2.627
_exptl_absorpt_coefficient_mu    8.563
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.77127
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
(CrysAlisPro; Agilent, 2012)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.042
_exptl_crystal_description       block
_exptl_crystal_F_000             1000
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.14
_refine_diff_density_max         1.132
_refine_diff_density_min         -1.006
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.110
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     229
_refine_ls_number_reflns         3459
_refine_ls_number_restraints     219
_refine_ls_restrained_S_all      1.082
_refine_ls_R_factor_all          0.0285
_refine_ls_R_factor_gt           0.0242
_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/[\s^2^(Fo^2^)+(0.0139P)^2^+1.1858P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0485
_refine_ls_wR_factor_ref         0.0511
_reflns_number_gt                3165
_reflns_number_total             3459
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            su4003sup1.cif
_cod_data_source_block           I
_cod_depositor_comments          'Adding full bibliography for 1542476.cif.'
_cod_database_code               1542476
_cod_database_fobs_code          1542476