Crystal structures of organoplatinum complexes containing alkyleugenoxyacetate and <i>p</i>-chloroaniline
Le Thi Hong, Hai; Dao Thi Bich, Diep; Nguyen Bich, Ngan; Van Meervelt, Luc; Acta Crystallographica Section E 72 (2016) 912–917; doi:10.1107/S2056989016008872

data_2241705
_publ_section_title
;
 Crystal structures of organoplatinum complexes containing
 alkyleugenoxyacetate and <i>p</i>-chloroaniline
;
_journal_coeditor_code           RZ5189
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              912
_journal_page_last               917
_journal_paper_doi               10.1107/S2056989016008872
_journal_volume                  72
_journal_year                    2016
_chemical_formula_iupac          '[Pt Cl2 (C6 H6 Cl N) (C13 H16 O4)], 0.1H2 O'
_chemical_formula_moiety         'C19 H22 Cl3 N O4 Pt, 0.1(H2 O)'
_chemical_formula_sum            'C19 H22.2 Cl3 N O4.1 Pt'
_chemical_formula_weight         631.61
_chemical_name_systematic
;<i>trans</i>-Dichlorido(4-chloroaniline-\k<i>N</i>){3-methoxy-4-methoxycarbonylmethoxy-1-[(2,3-\h)-prop-2-en-1-yl]benzene}platinum(II)
0.1-hydrate
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     heavy
_audit_creation_method
;
Olex2 1.2
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155)
;
_cell_angle_alpha                90
_cell_angle_beta                 106.683(5)
_cell_angle_gamma                90
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_cell_length_a                   13.8322(6)
_cell_length_b                   15.0753(4)
_cell_length_c                   21.0367(9)
_cell_measurement_reflns_used    22209
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      28.6090
_cell_measurement_theta_min      3.2570
_cell_volume                     4202.0(3)
_computing_cell_refinement
;
CrysAlis PRO (Agilent, 2012)
;
_computing_data_collection
;
CrysAlis PRO (Agilent, 2012)
;
_computing_data_reduction
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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      100.0
_diffrn_detector_area_resol_mean 15.9631
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.0318
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
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_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.369
_diffrn_reflns_theta_min         2.885
_exptl_absorpt_coefficient_mu    7.086
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.71501
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_exptl_absorpt_process_details
;
(CrysAlis PRO; Agilent, 2012)
;
_exptl_crystal_colour            yellow
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_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
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_refine_diff_density_min         -0.917
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
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_refine_ls_number_reflns         4295
_refine_ls_number_restraints     291
_refine_ls_restrained_S_all      1.199
_refine_ls_R_factor_all          0.0351
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_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^)+46.5817P] where P=(Fo^2^+2Fc^2^)/3'
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_refine_ls_wR_factor_ref         0.0639
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_cod_database_fobs_code 2241705