{4,5-Dimethoxy-2-[(2,3-η)-2-prop-2-en-1-yl]phenyl-κ<i>C</i>^1^}(8-hydroxyquinolinato-κ<i>N</i>,<i>O</i>)platinum(II)
Bui, Thi Yen Hang; Nguyen Thi Thanh, Chi; Van Meervelt, Luc; IUCrData 1 (2016) x152428–; doi:10.1107/S2414314615024281

data_1542466
_publ_section_title
;
 {4,5-Dimethoxy-2-[(2,3-\h)-2-prop-2-en-1-yl]phenyl-\k<i>C</i>^1^}(8-hydroxyquinolinato-\k<i>N</i>,<i>O</i>)platinum(II)
;
_journal_coeditor_code           WM4002
_journal_issue                   1
_journal_name_full               IUCrData
_journal_page_first              x152428
_journal_paper_doi               10.1107/S2414314615024281
_journal_volume                  1
_journal_year                    2016
_chemical_formula_iupac          '[Pt (C9 H6 N1 O1) (C11 H13 O2)]'
_chemical_formula_moiety         'C20 H19 N O3 Pt'
_chemical_formula_sum            'C20 H19 N O3 Pt'
_chemical_formula_weight         516.45
_chemical_name_systematic
{4,5-Dimethoxy-2-[(2,3-\h)-2-prop-2-en-1-yl]phenyl-\k<i>C</i>^1^}(8-hydroxyquinolinato-\k<i>N</i>,<i>O</i>)platinum(II)
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_audit_creation_method
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_cell_angle_alpha                90
_cell_angle_beta                 93.951(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.2250(5)
_cell_length_b                   15.0844(6)
_cell_length_c                   8.4294(3)
_cell_measurement_reflns_used    9136
_cell_measurement_temperature    99.98(10)
_cell_measurement_theta_max      29.0930
_cell_measurement_theta_min      3.0760
_cell_volume                     1677.59(11)
_computing_cell_refinement
;
CrysAlis PRO (Agilent, 2012)
;
_computing_data_collection
;
CrysAlis PRO (Agilent, 2012)
;
_computing_data_reduction
;
CrysAlis PRO (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
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      99.98(10)
_diffrn_detector_area_resol_mean 15.9631
_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 detector)
;
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0302
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            17650
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.372
_diffrn_reflns_theta_min         2.701
_exptl_absorpt_coefficient_mu    8.383
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.71526
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(<i>CrysAlis PRO</i>; Agilent, 2012)
;
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    2.045
_exptl_crystal_description       block
_exptl_crystal_F_000             992
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.412
_refine_diff_density_min         -0.438
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     228
_refine_ls_number_reflns         3429
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.0184
_refine_ls_R_factor_gt           0.0153
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0116P)^2^+1.0756P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0328
_refine_ls_wR_factor_ref         0.0340
_reflns_number_gt                3106
_reflns_number_total             3429
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            wm4002sup1.cif
_cod_data_source_block           I
_cod_depositor_comments          'Adding full bibliography for 1542466.cif.'
_cod_database_code               1542466