<i>trans</i>-Chloridobis[(<i>Z</i>)-1-imino-1-methoxyethane-κ<i>N</i>](triphenylphosphane-κ<i>P</i>)platinum(II) chloride monohydrate
Giardina-Papa, Daniela; Intini, Francesco Paolo; Natile, Giovanni; Pacifico, Concetta; Acta Crystallographica Section C 68 (2012) m300–m302; doi:10.1107/S0108270112040826

data_2018607
_publ_section_title
;
 <i>trans</i>-Chloridobis[(<i>Z</i>)-1-imino-1-methoxyethane-\k<i>N</i>](triphenylphosphane-\k<i>P</i>)platinum(II)
 chloride monohydrate
;
_journal_coeditor_code           EG3099
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m300
_journal_page_last               m302
_journal_paper_doi               10.1107/S0108270112040826
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Pt Cl (C3 H7 N O)2 (C18 H15 P)] Cl, H2 O'
_chemical_formula_moiety         'C24 H29 Cl N2 O2 P Pt +, Cl -, H2 O'
_chemical_formula_sum            'C24 H31 Cl2 N2 O3 P Pt'
_chemical_formula_weight         692.47
_chemical_name_common
;
trans-[PtCl{E-HN=C(Me)OMe}~2~(PPh~3~)]Cl
;
_chemical_name_systematic
;
<i>trans</i>-Chloridobis[(<i>Z</i>)-1-imino-1-methoxyethane-
\k<i>N</i>](triphenylphosphane-\k<i>P</i>)platinum(II) chloride monohydrate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_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
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 108.0087(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.7361(2)
_cell_length_b                   17.1215(2)
_cell_length_c                   15.6226(2)
_cell_measurement_reflns_used    30501
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      30.51
_cell_measurement_theta_min      1.81
_cell_volume                     2731.03(7)
_computing_cell_refinement       'SAINT-IRIX (Bruker, 2004)'
_computing_data_collection
;
COSMO, APEX2 and BIS (Bruker, 2004)
;
_computing_data_reduction        'SAINT-IRIX (Bruker, 2004)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material
;
PARST97 (Nardelli, 1983, 1995) and WinGX (Farrugia,
1999)
;
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR2004 (Burla et al., 2005)'
_diffrn_ambient_temperature      294(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Nonius KappaCCD area-detector'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0567
_diffrn_reflns_av_sigmaI/netI    0.0630
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            30501
_diffrn_reflns_theta_full        30.51
_diffrn_reflns_theta_max         30.51
_diffrn_reflns_theta_min         1.81
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.419
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.8888
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.684
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             1360
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.827
_refine_diff_density_min         -0.580
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.985
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     314
_refine_ls_number_reflns         8334
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      0.986
_refine_ls_R_factor_all          0.0695
_refine_ls_R_factor_gt           0.0358
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0214P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0569
_refine_ls_wR_factor_ref         0.0648
_reflns_number_gt                5675
_reflns_number_total             8334
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            eg3099.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2018607
_cod_database_fobs_code          2018607