Crystal structure of chlorido{4,5-dimethoxy-2-[(2,3-η)-2-prop-2-en-1-yl]phenyl-κ<i>C</i>^1^}(piperidine-κ<i>N</i>)platinum(II) ethanol monosolvate
Mangwala Kimpende, Peter; Thi Da, Tran; Nguyen Huu, Dinh; Van Meervelt, Luc; Acta Crystallographica Section E 70 (2014) 435–437; doi:10.1107/S1600536814023575

data_2240156
_publ_section_title
;
 Crystal structure of
 chlorido{4,5-dimethoxy-2-[(2,3-\h)-2-prop-2-en-1-yl]phenyl-\k<i>C</i>^1^}(piperidine-\k<i>N</i>)platinum(II)
 ethanol monosolvate
;
_journal_coeditor_code           RZ5134
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              435
_journal_page_last               437
_journal_paper_doi               10.1107/S1600536814023575
_journal_volume                  70
_journal_year                    2014
_chemical_formula_iupac          '[Pt (C11 H13 O2) Cl (C5 H11 N)], C2 H6 O'
_chemical_formula_moiety         'C16 H24 Cl N O2 Pt, C2 H6 O'
_chemical_formula_sum            'C18 H30 Cl N O3 Pt'
_chemical_formula_weight         538.97
_chemical_name_systematic
'Chlorido{4,5-dimethoxy-2-[(2,3-\h)-2-prop-2-en-1-yl]phenyl-\k<i>C</i>^1^}(piperidine-\k<i>N</i>)platinum(II) ethanol monosolvate'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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
_atom_sites_solution_secondary   difmap
_audit_creation_method
;
Olex2 1.2
(compiled 2014.08.28 svn.r2986 for OlexSys, GUI svn.r4874)
;
_cell_angle_alpha                97.9050(10)
_cell_angle_beta                 97.6840(10)
_cell_angle_gamma                99.8800(10)
_cell_formula_units_Z            2
_cell_length_a                   8.5280(2)
_cell_length_b                   8.7520(2)
_cell_length_c                   13.3309(3)
_cell_measurement_reflns_used    5133
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      70.577
_cell_measurement_theta_min      3.392
_cell_volume                     958.21(4)
_computing_cell_refinement
;
SAINT (Bruker, 2003)
;
_computing_data_collection
;
SMART (Bruker, 2003)
;
_computing_data_reduction
;
SAINT (Bruker, 2003)
;
_computing_molecular_graphics
;
OLEX2 (Dolomanov <i>et al.</i>,  2009)
;
_computing_publication_material
;
OLEX2 (Dolomanov <i>et al.</i>,  2009)
;
_computing_structure_refinement
;
SHELXL97 (Sheldrick, 2008)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.958
_diffrn_measurement_device_type  'Bruker SMART 6000'
_diffrn_measurement_method       '\w and \f scan'
_diffrn_radiation_monochromator  'Crossed Globel mirrors'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0503
_diffrn_reflns_av_sigmaI/netI    0.0470
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            13448
_diffrn_reflns_theta_full        67.70
_diffrn_reflns_theta_max         70.60
_diffrn_reflns_theta_min         3.39
_exptl_absorpt_coefficient_mu    15.104
_exptl_absorpt_correction_T_max  0.347
_exptl_absorpt_correction_T_min  0.107
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2003)
;
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.868
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
_exptl_crystal_F_000             528
_exptl_crystal_size_max          0.6
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.569
_refine_diff_density_min         -2.162
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.081
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     220
_refine_ls_number_reflns         3533
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.081
_refine_ls_R_factor_all          0.0285
_refine_ls_R_factor_gt           0.0274
_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^)+(0.0436P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0679
_refine_ls_wR_factor_ref         0.0685
_reflns_number_gt                3410
_reflns_number_total             3533
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            rz5134sup1.cf
_cod_data_source_block           I
_cod_database_code               2240156
_cod_database_fobs_code          2240156