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_2020904
_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          '[Pt (C9 H4 Cl2 N O) Cl (C10 H12 O2)]'
_chemical_formula_moiety         'C19 H16 Cl3 N O3 Pt'
_chemical_formula_sum            'C19 H16 Cl3 N O3 Pt'
_chemical_formula_weight         607.77
_chemical_name_systematic
Chlorido(5,7-dichloroquinolin-8-olato-\k^2^<i>N</i>,<i>O</i>)[\h^2^-2-methoxy4-(prop-2-en-1-yl)phenol]platinum(II)
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_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                88.793(4)
_cell_angle_beta                 76.567(4)
_cell_angle_gamma                70.219(4)
_cell_formula_units_Z            2
_cell_length_a                   8.1313(3)
_cell_length_b                   11.2960(5)
_cell_length_c                   11.4294(7)
_cell_measurement_reflns_used    8641
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      28.6920
_cell_measurement_theta_min      2.7150
_cell_volume                     958.93(9)
_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 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0752
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            19518
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.371
_diffrn_reflns_theta_min         2.572
_exptl_absorpt_coefficient_mu    7.754
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.42729
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(CrysAlis PRO; Rigaku OD, 2015)'
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.105
_exptl_crystal_description       block
_exptl_crystal_F_000             580
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.3
_refine_diff_density_max         2.512
_refine_diff_density_min         -1.824
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.112
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     301
_refine_ls_number_reflns         3916
_refine_ls_number_restraints     133
_refine_ls_restrained_S_all      1.094
_refine_ls_R_factor_all          0.0411
_refine_ls_R_factor_gt           0.0359
_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^)+(0.0357P)^2^+3.4074P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0841
_refine_ls_wR_factor_ref         0.0882
_reflns_number_gt                3594
_reflns_number_total             3916
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            sk3673sup1.cif
_cod_data_source_block           chi47
_cod_original_cell_volume        958.93(8)
_cod_database_code               2020904
_cod_database_fobs_code 2020904