<i>cis</i>-Diamminedichloridoplatinum(II) <i>N</i>,<i>N</i>-dimethylformamide monosolvate
Johnston, Dean H.; Miller, Nathanael A.; Tackett, Cory B.; Acta Crystallographica Section E 68 (2012) m863–m864; doi:10.1107/S1600536812024014

data_2235566
_publ_section_title
;
 <i>cis</i>-Diamminedichloridoplatinum(II)
 <i>N</i>,<i>N</i>-dimethylformamide monosolvate
;
_journal_coeditor_code           PK2417
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m863
_journal_page_last               m864
_journal_paper_doi               10.1107/S1600536812024014
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Pt Cl2 (N H3)2], C3 H7 N O'
_chemical_formula_moiety         'Cl2 H6 N2 Pt, C3 H7 N O'
_chemical_formula_sum            'C3 H13 Cl2 N3 O Pt'
_chemical_formula_weight         373.15
_chemical_name_common            cis-platin
_chemical_name_systematic
;
<i>cis</i>-Diamminedichloridoplatinum(II) <i>N</i>,<i>N</i>-dimethylformamide
monosolvate
;
_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_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           'APEX2 v2011.4-1'
_cell_angle_alpha                105.285(4)
_cell_angle_beta                 96.061(4)
_cell_angle_gamma                97.809(4)
_cell_formula_units_Z            2
_cell_length_a                   6.2344(9)
_cell_length_b                   6.8196(11)
_cell_length_c                   11.5833(18)
_cell_measurement_reflns_used    1090
_cell_measurement_temperature    200.0
_cell_measurement_theta_max      24.81
_cell_measurement_theta_min      3.34
_cell_volume                     465.47(12)
_computing_cell_refinement       'SAINT (Bruker, 2009)'
_computing_data_collection       'APEX2 and GIS (Bruker, 2009)'
_computing_data_reduction        'SAINT (Bruker, 2009)'
_computing_molecular_graphics
;
PLATON (Spek, 2009), Mercury (Macrae <i>et al.</i>, 2008) and
POV-Ray (Cason,
2004)
;
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement
;
SHELXL97 (Sheldrick, 2008) and OLEX2 (Dolomanov <i>et al.</i>,
2009)
;
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      200.(2)
_diffrn_detector_area_resol_mean 8.3330
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'Bruker SMART X2S benchtop'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  'doubly curved silicon crystal'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0426
_diffrn_reflns_av_sigmaI/netI    0.0658
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            7440
_diffrn_reflns_theta_full        25.09
_diffrn_reflns_theta_max         25.09
_diffrn_reflns_theta_min         3.14
_exptl_absorpt_coefficient_mu    15.593
_exptl_absorpt_correction_T_max  0.30
_exptl_absorpt_correction_T_min  0.05
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(TWINABS; Bruker, 2009)'
_exptl_crystal_colour            'clear yellow'
_exptl_crystal_density_diffrn    2.662
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             344
_exptl_crystal_size_max          0.46
_exptl_crystal_size_mid          0.36
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.444
_refine_diff_density_min         -2.083
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     96
_refine_ls_number_reflns         1620
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.065
_refine_ls_R_factor_all          0.0306
_refine_ls_R_factor_gt           0.0279
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'calc w=1/[\s^2^(Fo^2^)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0713
_refine_ls_wR_factor_ref         0.0724
_reflns_number_gt                1484
_reflns_number_total             1620
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            pk2417.cif
_cod_data_source_block           I
_cod_database_code               2235566
_cod_database_fobs_code          2235566