Hydrogen-bonded chains in three <i>cis</i>-dichloridoplatinum(II) complexes bearing piperidine and amine ligands
Nguyen Thi Thanh, Chi; Nguyen Bich, Ngan; Van Meervelt, Luc; Acta Crystallographica Section C 70 (2014) 297–301; doi:10.1107/S2053229614003386

data_2019480
_publ_section_title
;
 Hydrogen-bonded chains in three <i>cis</i>-dichloridoplatinum(II)
 complexes bearing piperidine and amine ligands
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              297
_journal_page_last               301
_journal_paper_doi               10.1107/S2053229614003386
_journal_volume                  70
_journal_year                    2014
_chemical_formula_iupac          '[Pt Cl2 (C5 H11 N) (C7 H9 N O)]'
_chemical_formula_moiety         'C12 H20 Cl2 N2 O Pt'
_chemical_formula_sum            'C12 H20 Cl2 N2 O Pt'
_chemical_formula_weight         474.29
_chemical_name_systematic
<i>cis</i>-Dichlorido(3-methoxyaniline-\k<i>N</i>)(piperidine-\k<i>N</i>)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
_atom_sites_solution_secondary   difmap
_audit_creation_method
;
Olex2 1.2
(compiled 2013.09.17 svn.r2790 for OlexSys, GUI svn.r4601)
;
_cell_angle_alpha                108.733(7)
_cell_angle_beta                 91.463(5)
_cell_angle_gamma                106.893(7)
_cell_formula_units_Z            2
_cell_length_a                   6.3800(4)
_cell_length_b                   9.9376(9)
_cell_length_c                   12.7899(8)
_cell_measurement_reflns_used    3469
_cell_measurement_temperature    100.01(10)
_cell_measurement_theta_max      28.9730
_cell_measurement_theta_min      3.2770
_cell_volume                     728.46(10)
_computing_cell_refinement
;
CrysAlis PRO (Agilent, 2012)
;
_computing_data_collection
;
CrysAlis PRO (Agilent, 2012)
;
_computing_data_reduction
;
CrysAlis PRO (Agilent, 2012)
;
_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)
;
_computing_structure_refinement
;
SHELXL97 (Sheldrick, 2008)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      100.01(10)
_diffrn_detector_area_resol_mean 15.9631
_diffrn_measured_fraction_theta_full 0.9801
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type
;
Agilent SuperNova (single source at offset, Eos detector)
;
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0265
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            5750
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         26.36
_diffrn_reflns_theta_min         3.28
_exptl_absorpt_coefficient_mu    9.988
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.49246
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(CrysAlis PRO; Agilent, 2012)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.162
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             452
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.074
_refine_diff_density_min         -1.079
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     164
_refine_ls_number_reflns         2911
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.0203
_refine_ls_R_factor_gt           0.0186
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0085P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0374
_refine_ls_wR_factor_ref         0.0382
_reflns_number_gt                2762
_reflns_number_total             2911
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            uk3089sup1.cif
_cod_data_source_block           II
_cod_original_cell_volume        728.46(9)
_cod_database_code               2019480
_cod_database_fobs_code          2019480