Synthesis, crystal structure and Raman spectrum of K~2~[(Pt~2~)(HPO~4~)~4~(H~2~O)~2~] containing (Pt~2~)^6+^ ions
Panagiotidis, Kosta; Glaum, Robert; Acta Crystallographica Section E 65 (2009) i18–i19; doi:10.1107/S1600536809005601

data_2221049
_publ_section_title
;
 Synthesis, crystal structure and Raman spectrum of
 K~2~[(Pt~2~)(HPO~4~)~4~(H~2~O)~2~] containing (Pt~2~)^6+^ ions
;
_journal_coeditor_code           ER2058
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i18
_journal_page_last               i19
_journal_paper_doi               10.1107/S1600536809005601
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          'K2 [Pt2 (H P O4)4 (H2 O)2]'
_chemical_formula_moiety         'H8 O18 P4 Pt2, 2(K)'
_chemical_formula_structural     'K2 [Pt2 (H P O4)4 (H2 O)2]'
_chemical_formula_sum            'H8 K2 O18 P4 Pt2'
_chemical_formula_weight         888.32
_chemical_name_systematic
;
dipotassium
di-\m-hydrogenphosphato-bis[aquaplatinum(III)](<i>Pt</i>---<i>Pt</i>)
;
_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
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.3
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                82.3580(10)
_cell_angle_beta                 81.5090(10)
_cell_angle_gamma                65.5280(10)
_cell_formula_units_Z            2
_cell_length_a                   7.8852(2)
_cell_length_b                   7.9657(2)
_cell_length_c                   13.7739(4)
_cell_measurement_pressure       101.3
_cell_measurement_reflns_used    5589
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      32.5
_cell_measurement_theta_min      1.5
_cell_volume                     776.32(4)
_computing_cell_refinement       'SCALEPACK (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Hooft, 2004)'
_computing_data_reduction        'DENZO (Otwinowski & Minor 1997) and SCALEPACK'
_computing_molecular_graphics    'ATOMS (Dowty, 2006)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      123(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device       '95mm CCD camera on \k-goniostat'
_diffrn_measurement_device_type  'Nonius Kappa CCD'
_diffrn_measurement_method       'CCD rotation images'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         MoK\a
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.064
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            18915
_diffrn_reflns_theta_full        32.5
_diffrn_reflns_theta_max         32.5
_diffrn_reflns_theta_min         1.50
_exptl_absorpt_coefficient_mu    19.046
_exptl_absorpt_correction_T_max  0.224
_exptl_absorpt_correction_T_min  0.060
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Blessing, 1995)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    3.800
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             812
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.08
_refine_diff_density_max         3.463
_refine_diff_density_min         -2.87
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.980
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     259
_refine_ls_number_reflns         5589
_refine_ls_number_restraints     10
_refine_ls_restrained_S_all      0.980
_refine_ls_R_factor_all          0.0547
_refine_ls_R_factor_gt           0.0334
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0423P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0801
_refine_ls_wR_factor_ref         0.0855
_reflns_number_gt                4077
_reflns_number_total             5589
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            er2058.cif
_cod_data_source_block           I
_cod_database_code               2221049
_cod_database_fobs_code          2221049