An X-ray powder diffraction study of <i>cis</i>-dichloridobis(2-methyl-2<i>H</i>-tetrazol-5-amine-κ<i>N</i>^4^)platinum(II), a tetrazole-containing analogue of cisplatin
Ivashkevich, Ludmila S.; Serebryanskaya, Tatyana V.; Lyakhov, Alexander S.; Gaponik, Pavel N.; Acta Crystallographica Section C 67 (2011) m195–m198; doi:10.1107/S0108270111018063

data_2018101
_publ_section_title
;
 An X-ray powder diffraction study of
 <i>cis</i>-dichloridobis(2-methyl-2<i>H</i>-tetrazol-5-amine-\k<i>N</i>^4^)platinum(II),
 a tetrazole-containing analogue of cisplatin
;
_journal_coeditor_code           FA3255
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m195
_journal_page_last               m198
_journal_paper_doi               10.1107/S0108270111018063
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Pt Cl2 (C2 H5 N5)2]'
_chemical_formula_moiety         'C4 H10 Cl2 N10 Pt'
_chemical_formula_structural     'C4 H10 Cl2 N10 Pt'
_chemical_formula_sum            'C4 H10 Cl2 N10 Pt'
_chemical_formula_weight         464.20
_chemical_name_systematic
;
<i>cis</i>-Dichloridobis(2-methyl-2<i>H</i>-tetrazol-5-amine-
\k<i>N</i>^4^)platinum(II)
;
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   8.37465(7)
_cell_length_b                   11.93209(10)
_cell_length_c                   12.61875(10)
_cell_measurement_temperature    295
_cell_volume                     1260.955(18)
_computing_cell_refinement
'<i>FULLPROF</i> (Rodr\'iguez-Carvajal, 2001)'
_computing_data_collection       'local program'
_computing_data_reduction        'local program'
_computing_molecular_graphics
'PLATON (Spek, 2009) and ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material
'<i>FULLPROF</i> (Rodr\'iguez-Carvajal, 2001) and PLATON (Spek, 2009)'
_computing_structure_refinement
'<i>FULLPROF</i> (Rodr\'iguez-Carvajal, 2001)'
_computing_structure_solution    '<i>EXPO</i> (Altomare <i>et al.</i>, 1999)'
_diffrn_ambient_temperature      295
_diffrn_measurement_device_type  'HZG-4A (Carl Zeiss, Jena)'
_diffrn_measurement_method       '\q/2\q scan'
_diffrn_radiation_monochromator  'Ni filtered'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    24.736
_exptl_crystal_density_diffrn    2.445
_exptl_crystal_F_000             864.0
_pd_block_diffractogram_id       PtCl2(5Am2MeTz)2
_pd_char_colour                  yellow
_pd_char_particle_morphology     'finely ground powder'
_pd_meas_2theta_range_inc        0.02
_pd_meas_2theta_range_max        120.00
_pd_meas_2theta_range_min        5.00
_pd_meas_number_of_points        5751
_pd_meas_scan_method             step
_pd_prep_pressure                100
_pd_prep_temperature             295(2)
_pd_proc_info_excluded_regions   none
_pd_proc_ls_background_function  Polynomial
_pd_proc_ls_pref_orient_corr     none
_pd_proc_ls_profile_function     psevdo-Voigt
_pd_proc_ls_prof_R_factor        0.036
_pd_proc_ls_prof_wR_expected     0.028
_pd_proc_ls_prof_wR_factor       0.046
_pd_spec_mounting                'packed powder pellet'
_pd_spec_mount_mode              reflection
_pd_spec_shape                   'flat sheet'
_pd_spec_size_axial              30
_pd_spec_size_equat              30
_pd_spec_size_thick              1
_refine_ls_goodness_of_fit_all   1.64
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           fullcycle
_refine_ls_number_constraints    10
_refine_ls_number_parameters     66
_refine_ls_number_reflns         1191
_refine_ls_number_restraints     38
_refine_ls_R_factor_all          0.033
_refine_ls_shift/su_max          0.04
_refine_ls_structure_factor_coef Inet
_refine_ls_weighting_scheme      sigma
_cod_data_source_file            fa3255.cif
_cod_data_source_block           I
_cod_database_code               2018101