Two Different Crystal Forms of <i>cis</i>-diamminebis(pyrazole)platinum(II) Nitrate
Sakai, K.; Ishikura, A.; Tsubomura, T.; Matsumoto, K.; Acta Crystallographica Section C 52 (1996) 779–783; doi:10.1107/S0108270195013461

data_2004778
_publ_section_title
;
 Two Different Crystal Forms of
 <i>cis</i>-diamminebis(pyrazole)platinum(II) Nitrate
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              779
_journal_page_last               783
_journal_paper_doi               10.1107/S0108270195013461
_journal_volume                  52
_journal_year                    1996
_chemical_formula_iupac          '[Pt1 (N H3)2 (C3 H4 N2)2](N1 O3)2'
_chemical_formula_moiety         'C6 H14 N6 Pt1, (N O3)2'
_chemical_formula_structural     '(Pt (N H3)2 (C3 H4 N2)2) (N O3)2'
_chemical_formula_sum            'C6 H14 N8 O6 Pt'
_chemical_formula_weight         489.32
_chemical_name_systematic
;
cis-Diammine-bis(pyrazole)platinum(II) nitrate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_method           'teXsan (modified by Ken Sakai)'
_cell_angle_alpha                90
_cell_angle_beta                 90.530(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4.00
_cell_length_a                   8.9430(10)
_cell_length_b                   9.222(2)
_cell_length_c                   17.184(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.0
_cell_measurement_theta_max      29.89
_cell_measurement_theta_min      25.16
_cell_volume                     1417.1(4)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan: PROCESS (MSC)'
_computing_publication_material  'teXsan: FINISH (MSC)'
_computing_structure_refinement  'teXsan: LS (MSC)'
_computing_structure_solution    'SAPI91 (Fan, 1991)'
_diffrn_ambient_temperature      296
_diffrn_measurement_device       'Rigaku AFC-5S'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0474
_diffrn_reflns_av_sigmaI/netI    0.0503
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            3675
_diffrn_reflns_theta_max         27.5
_diffrn_reflns_theta_min         2.2
_diffrn_standards_decay_%        0.73
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    9.944
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.702
_exptl_absorpt_correction_type   'empirical via \y scan'
_exptl_absorpt_process_details   psi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.2934
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             928.00
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.81
_refine_diff_density_min         -1.61
_refine_ls_extinction_coef       2.96793
_refine_ls_extinction_method     'Zachariasen type II, Gaussian isotropic'
_refine_ls_goodness_of_fit_obs   3.18
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     191
_refine_ls_number_reflns         2458
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0391
_refine_ls_shift/esd_max         0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      'sigma; w = 1/\s^2^(F)'
_refine_ls_wR_factor_obs         0.0377
_reflns_number_observed          2458
_reflns_number_total             3461
_reflns_observed_criterion       I_>_3.0_sigma(I)
_cod_data_source_file            kh1060.cif
_cod_data_source_block           ptpz1
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C6 H14 N8 O6 Pt1'
_cod_database_code               2004778