Crystal structures of two platinum(II) complexes containing ethyl eugenoxyacetate and 2-aminopyridine
Le Thi Hong, Hai; Nguyen Thu, Thao; Nguyen, Hien; Van Meervelt, Luc; Acta Crystallographica Section E 73 (2017) 573–578; doi:10.1107/S2056989017004285

data_2242097
_publ_section_title
;
 Crystal structures of two platinum(II) complexes containing ethyl
 eugenoxyacetate and 2-aminopyridine
;
_journal_coeditor_code           RZ5208
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              573
_journal_page_last               578
_journal_paper_doi               10.1107/S2056989017004285
_journal_volume                  73
_journal_year                    2017
_chemical_formula_iupac          '[Pt Cl2 (C5 H6 N2) (C14 H18 O4)]'
_chemical_formula_moiety         'C19 H24 Cl2 N2 O4 Pt'
_chemical_formula_sum            'C19 H24 Cl2 N2 O4 Pt'
_chemical_formula_weight         610.39
_chemical_name_systematic
<i>trans</i>-(2-Aminopyridine-\k<i>N</i>)dichlorido{4-ethoxycarbonylmethoxy-3-methoxy-1-[(2,3-\h)-prop-2-en-1-yl]benzene}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
_audit_creation_method
;
Olex2 1.2
(compiled 2015.09.30 svn.r3233 for OlexSys, GUI svn.r5103)
;
_cell_angle_alpha                70.437(3)
_cell_angle_beta                 73.688(3)
_cell_angle_gamma                87.038(2)
_cell_formula_units_Z            2
_cell_length_a                   8.3187(3)
_cell_length_b                   11.4119(3)
_cell_length_c                   12.1012(4)
_cell_measurement_reflns_used    13838
_cell_measurement_temperature    100.01(10)
_cell_measurement_theta_max      28.9750
_cell_measurement_theta_min      2.7030
_cell_volume                     1037.76(6)
_computing_cell_refinement
;
CrysAlis PRO (Rigaku Oxford Diffraction, 2015)
;
_computing_data_collection
;
CrysAlis PRO (Rigaku Oxford Diffraction, 2015)
;
_computing_data_reduction
;
CrysAlis PRO (Rigaku Oxford Diffraction, 2015)
;
_computing_molecular_graphics
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OLEX2 (Dolomanov <i>et al.</i>,  2009)
;
_computing_publication_material
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OLEX2 (Dolomanov <i>et al.</i>,  2009)
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_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      100.01(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 diffractometer (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  0.0516
_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       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            21329
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         26.369
_diffrn_reflns_theta_min         2.554
_exptl_absorpt_coefficient_mu    7.046
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.40577
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(CrysAlis PRO; Rigaku Oxford Diffraction, 2015)
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.953
_exptl_crystal_description       block
_exptl_crystal_F_000             592
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.409
_refine_diff_density_min         -2.245
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     265
_refine_ls_number_reflns         4241
_refine_ls_number_restraints     26
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.0309
_refine_ls_R_factor_gt           0.0287
_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^)+(0.0193P)^2^+4.6851P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0631
_refine_ls_wR_factor_ref         0.0646
_reflns_number_gt                4006
_reflns_number_total             4241
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           I
_cod_database_code               2242097
_cod_database_fobs_code 2242097