Synthesis, structure and <i>in vitro</i> cytotoxicity of platinum(II) complexes containing eugenol and a quinolin-8-ol-derived chelator
Nguyen Thi Thanh, Chi; Truong Thi Cam, Mai; Pham Van, Thong; Nguyen, Long; Nguyen Ha, My; Van Meervelt, Luc; Acta Crystallographica Section C 73 (2017) 1030–1037; doi:10.1107/S2053229617015200

data_2020903
_publ_section_title
;
 Synthesis, structure and <i>in vitro</i> cytotoxicity of platinum(II)
 complexes containing eugenol and a quinolin-8-ol-derived chelator
;
_journal_coeditor_code           SK3673
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1030
_journal_page_last               1037
_journal_paper_doi               10.1107/S2053229617015200
_journal_volume                  73
_journal_year                    2017
_chemical_formula_iupac          'K [Pt Cl3 (C10 H12 O2)]'
_chemical_formula_moiety         'C10 H12 Cl3 K O2 Pt'
_chemical_formula_sum            'C10 H12 Cl3 K O2 Pt'
_chemical_formula_weight         504.74
_chemical_name_systematic
;
Potassium [2-methoxy-4-(prop-2-en-1-yl)phenol]trichloridoplatinate
;
_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   mixed
_atom_sites_solution_primary     direct
_audit_creation_method
;
Olex2 1.2
(compiled 2017.07.20 svn.r3457 for OlexSys, GUI svn.r5370)
;
_cell_angle_alpha                90
_cell_angle_beta                 107.295(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.0312(6)
_cell_length_b                   16.1528(8)
_cell_length_c                   8.1007(4)
_cell_measurement_reflns_used    7771
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      28.9310
_cell_measurement_theta_min      2.9180
_cell_volume                     1503.09(14)
_computing_cell_refinement
;
CrysAlis PRO (Rigaku OD, 2015)
;
_computing_data_collection
;
CrysAlis PRO (Rigaku OD, 2015)
;
_computing_data_reduction
;
CrysAlis PRO (Rigaku OD, 2015)
;
_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
;
SHELXL2016 (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector_area_resol_mean 15.9631
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type
'Agilent SuperNova Single Source diffractometer with an 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  0.0399
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            15723
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         26.369
_diffrn_reflns_theta_min         2.522
_exptl_absorpt_coefficient_mu    10.132
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.54809
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(CrysAlis PRO; Rigaku OD, 2015)
;
_exptl_crystal_colour            orange
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_exptl_crystal_description       block
_exptl_crystal_F_000             944
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.3
_refine_diff_density_max         0.841
_refine_diff_density_min         -0.917
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     223
_refine_ls_number_reflns         3068
_refine_ls_number_restraints     86
_refine_ls_restrained_S_all      1.182
_refine_ls_R_factor_all          0.0245
_refine_ls_R_factor_gt           0.0227
_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^)+(0.0018P)^2^+2.9267P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0411
_refine_ls_wR_factor_ref         0.0417
_reflns_number_gt                2937
_reflns_number_total             3068
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           chi46-bis
_cod_database_code               2020903
_cod_database_fobs_code 2020903