Bis{di-μ-isobutyrato-bis[<i>cis</i>-diammineplatinum(II)]} tetraperchlorate
Sakai, Ken; Ishigami, Eri; Acta Crystallographica Section E 60 (2004) m65–m68; doi:10.1107/S160053680302782X

data_2203095
_publ_section_title
;
 Bis{di-\m-isobutyrato-bis[<i>cis</i>-diammineplatinum(II)]}
 tetraperchlorate
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m65
_journal_page_last               m68
_journal_paper_doi               10.1107/S160053680302782X
_journal_volume                  60
_journal_year                    2004
_chemical_formula_iupac          '[Pt2 (C4 H7 O2)2 (N H3)4]2 (Cl O4)4'
_chemical_formula_moiety         'C16 H52 N8 O8 Pt4 4+, 4Cl O4 1-'
_chemical_formula_sum            'C16 H52 Cl4 N8 O24 Pt4'
_chemical_formula_weight         1662.82
_chemical_name_systematic
;
Bis{di-\m-isobutyrato-bis[cis-diammineplatinum(II)]} tetrakis(perchlorate)
;
_space_group_IT_number           2
_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
_cell_angle_alpha                74.3540(10)
_cell_angle_beta                 84.6210(10)
_cell_angle_gamma                85.0520(10)
_cell_formula_units_Z            2
_cell_length_a                   10.1557(6)
_cell_length_b                   14.5963(8)
_cell_length_c                   15.5209(9)
_cell_measurement_reflns_used    5928
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.30
_cell_measurement_theta_min      2.24
_cell_volume                     2201.3(2)
_computing_cell_refinement       'SAINT (Bruker, 2001)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'KENX (Sakai, 2002)'
_computing_publication_material
;
SHELXL97, TEXSAN (Molecular Structure Corporation, 2001),
KENX and ORTEPII (Johnson, 1976)
;
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean 8.366
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device       'Bruker SMART APEX CCD-detector'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0583
_diffrn_reflns_av_sigmaI/netI    0.0763
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            21380
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.24
_diffrn_standards_decay_%        'variation: 0.04'
_diffrn_standards_interval_time  330
_diffrn_standards_number         245
_exptl_absorpt_coefficient_mu    12.998
_exptl_absorpt_correction_T_max  0.536
_exptl_absorpt_correction_T_min  0.205
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.509
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       prism
_exptl_crystal_F_000             1552
_exptl_crystal_size_max          0.314
_exptl_crystal_size_mid          0.143
_exptl_crystal_size_min          0.048
_refine_diff_density_max         2.973
_refine_diff_density_min         -2.158
_refine_ls_extinction_expression none
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.963
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     497
_refine_ls_number_reflns         10024
_refine_ls_number_restraints     49
_refine_ls_restrained_S_all      0.965
_refine_ls_R_factor_all          0.0532
_refine_ls_R_factor_gt           0.0431
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0372P)^2^] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0988
_refine_ls_wR_factor_ref         0.1017
_reflns_number_gt                7784
_reflns_number_total             10024
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ob6329.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_database_code               2203095
_cod_database_fobs_code          2203095