Crystal structure of <i>trans</i>-dichlorido(4-nitroaniline-κ<i>N</i>^1^)(piperidine-κ<i>N</i>)platinum(II)
Nguyen Thi Thanh, Chi; Hoang Van, Truong; Pham Van, Thong; Nguyen Bich, Ngan; Van Meervelt, Luc; Acta Crystallographica Section E 71 (2015) 644–646; doi:10.1107/S2056989015009196

data_2240756
_publ_section_title
;
 Crystal structure of
 <i>trans</i>-dichlorido(4-nitroaniline-\k<i>N</i>^1^)(piperidine-\k<i>N</i>)platinum(II)
;
_journal_coeditor_code           RZ5159
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              644
_journal_page_last               646
_journal_paper_doi               10.1107/S2056989015009196
_journal_volume                  71
_journal_year                    2015
_chemical_formula_iupac          '[Pt Cl2 (C5 H11 N) (C6 H6 N2 O2)]'
_chemical_formula_moiety         'C11 H17 Cl2 N3 O2 Pt'
_chemical_formula_sum            'C11 H17 Cl2 N3 O2 Pt'
_chemical_formula_weight         489.27
_chemical_name_systematic
;
<i>trans</i>-Dichlorido(4-nitroaniline-\k<i>N</i>^1^)(piperidine-\
\k<i>N</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 2013.09.17 svn.r2790 for OlexSys, GUI svn.r4601)
;
_cell_angle_alpha                90.00
_cell_angle_beta                 103.119(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   15.8763(11)
_cell_length_b                   18.5394(11)
_cell_length_c                   10.8707(6)
_cell_measurement_reflns_used    3549
_cell_measurement_temperature    100.15
_cell_measurement_theta_max      28.8120
_cell_measurement_theta_min      3.4280
_cell_volume                     3116.1(3)
_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      100.15
_diffrn_detector_area_resol_mean 15.9631
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.974
_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  0.0439
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            8156
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         2.79
_exptl_absorpt_coefficient_mu    9.349
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.53760
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(CrysAlis PRO; Agilent, 2012)
;
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    2.086
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       ' '
_exptl_crystal_F_000             1856
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.1
_refine_diff_density_max         2.751
_refine_diff_density_min         -1.822
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.101
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     172
_refine_ls_number_reflns         3109
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.101
_refine_ls_R_factor_all          0.0385
_refine_ls_R_factor_gt           0.0315
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0296P)^2^+0.5839P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0662
_refine_ls_wR_factor_ref         0.0720
_reflns_number_gt                2713
_reflns_number_total             3109
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            rz5159sup1.cf
_cod_data_source_block           I
_cod_database_code               2240756
_cod_database_fobs_code 2240756