Di-(μ-pyrazolato-<i>N</i>:<i>N</i>')-bis[(2,2'-bipyridine-<i>N</i>,<i>N</i>')platinum(II)] Bis(tetrafluoroborate) Monohydrate
Sakai, K.; Sato, T.; Tsubomura, T.; Matsumoto, K.; Acta Crystallographica Section C 52 (1996) 783–786; doi:10.1107/S0108270195014326

data_2004781
_publ_section_title
;Di-(\m-pyrazolato-<i>N</i>:<i>N</i>')-bis[(2,2'-bipyridine-<i>N</i>,<i>N</i>')platinum(II)]
 Bis(tetrafluoroborate) Monohydrate
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              783
_journal_page_last               786
_journal_paper_doi               10.1107/S0108270195014326
_journal_volume                  52
_journal_year                    1996
_chemical_formula_iupac
'[Pt2 (C3 H3 N2)2(C10 H8 N2)2] (B1 F4)2, H2 O1'
_chemical_formula_moiety         'C26 H22 N8 Pt2, (B F4)2, H2 O'
_chemical_formula_structural     '(Pt (C10 H8 N2) (C3 H3 N2))2 (B F4)2 H2 O'
_chemical_formula_sum            'C26 H24 B2 F8 N8 O Pt2'
_chemical_formula_weight         1028.32
_chemical_name_systematic
;
Di-\m-pyrazolato-bis[(2,2'-bipyridine)platinum(II)] tetrafluoroborate
monohydrate
;
_space_group_IT_number           59
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ab 2a'
_symmetry_space_group_name_H-M   'P m m n :2'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.120(3)
_cell_length_b                   18.425(3)
_cell_length_c                   7.110(6)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.0
_cell_measurement_theta_max      31.9
_cell_measurement_theta_min      28.3
_cell_volume                     1587.7(14)
_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 (Hi-Fu, 1991)'
_diffrn_ambient_temperature      296.0
_diffrn_measurement_device       'Rigaku AFC5S'
_diffrn_measurement_method       \q/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  0.0108
_diffrn_reflns_av_sigmaI/netI    0.143
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2702
_diffrn_reflns_theta_max         30.0
_diffrn_reflns_theta_min         2.50
_diffrn_standards_decay_%        0.32
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    8.884
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.818
_exptl_absorpt_correction_type   'empirical via \y scan'
_exptl_absorpt_process_details   psi-scan
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    2.151
_exptl_crystal_density_meas      2.27
_exptl_crystal_description       needle
_exptl_crystal_F_000             964
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.27
_refine_diff_density_min         -1.48
_refine_ls_extinction_coef       2.32743
_refine_ls_extinction_method     'Zachariasen type II, Gaussian isotropic'
_refine_ls_goodness_of_fit_obs   1.840
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     114
_refine_ls_number_reflns         1073
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0577
_refine_ls_shift/esd_max         0.0060
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      'sigma; w = 1/\s^2^(F)'
_refine_ls_wR_factor_obs         0.0334
_reflns_number_observed          1073
_reflns_number_total             2639
_reflns_observed_criterion       I_>_3.0_sigma(I)
_cod_data_source_file            kh1064.cif
_cod_data_source_block           pt2dimer
_cod_original_sg_symbol_H-M      'P m m n'
_cod_original_formula_sum        'B2 C26 F8 H24 N8 O1 Pt2'
_cod_database_code               2004781