Crystal structure of chlorido(piperidine-κ<i>N</i>)(quinoline-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)platinum(II)
Nguyen Thi Thanh, Chi; Nguyen Bich, Ngan; Van Meervelt, Luc; Acta Crystallographica Section E 70 (2014) 36–38; doi:10.1107/S160053681401191X

data_2239741
_publ_section_title
;
 Crystal structure of
 chlorido(piperidine-\k<i>N</i>)(quinoline-2-carboxylato-\k^2^<i>N</i>,<i>O</i>)platinum(II)
;
_journal_coeditor_code           WM0005
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              36
_journal_page_last               38
_journal_paper_doi               10.1107/S160053681401191X
_journal_volume                  70
_journal_year                    2014
_chemical_formula_iupac          '[Pt (C10 H6 N O2) Cl (C5 H11 N)]'
_chemical_formula_moiety         'C15 H17 Cl N2 O2 Pt'
_chemical_formula_sum            'C15 H17 Cl N2 O2 Pt'
_chemical_formula_weight         487.85
_chemical_name_systematic
Chlorido(piperidine-k<i>N</i>)(quinoline-2-carboxylato-\k^2^<i>N</i>,<i>O</i>)platinum(II)
_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     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method
;
  Olex2 1.2
  (compiled Apr 23 2013 17:59:47, GUI svn.r4466)
;
_cell_angle_alpha                90.00
_cell_angle_beta                 95.542(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   22.7542(8)
_cell_length_b                   9.7540(3)
_cell_length_c                   14.0139(5)
_cell_measurement_reflns_used    16449
_cell_measurement_temperature    199.9(2)
_cell_measurement_theta_max      29.7900
_cell_measurement_theta_min      3.3990
_cell_volume                     3095.77(18)
_computing_cell_refinement
;
CrysAlis PRO (Agilent, 2012)
;
_computing_data_collection
;
CrysAlis PRO (Agilent, 2012)
;
_computing_data_reduction
;
CrysAlis PRO (Agilent, 2012)
;
_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      199.9(2)
_diffrn_detector_area_resol_mean 15.9631
_diffrn_measured_fraction_theta_full 0.9983
_diffrn_measured_fraction_theta_max 0.9293
_diffrn_measurement_device_type
;
Agilent SuperNova (single source at offset, Eos detector) diffractometer
;
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0258
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            31419
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         2.75
_exptl_absorpt_coefficient_mu    9.242
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.47333
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(CrysAlis PRO; Agilent, 2012)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.093
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1856
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.799
_refine_diff_density_min         -0.530
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.118
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     190
_refine_ls_number_reflns         3166
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.118
_refine_ls_R_factor_all          0.0177
_refine_ls_R_factor_gt           0.0150
_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^)+(0.0118P)^2^+9.1380P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0330
_refine_ls_wR_factor_ref         0.0345
_reflns_number_gt                2951
_reflns_number_total             3166
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            wm0005sup1.cf
_cod_data_source_block           I
_cod_original_cell_volume        3095.78(19)
_cod_database_code               2239741
_cod_database_fobs_code          2239741