Transition metal containing decatungstosilicate dimer [M(H(2)O)(2)(gamma-SiW(10)O(35))(2)](10-) (M = Mn(2+), Co(2+), Ni(2+)).
Bassil, Bassem S.; Dickman, Michael H.; Reicke, Markus; Kortz, Ulrich; Keita, Bineta; Nadjo, Louis; Dalton transactions (Cambridge, England : 2003)  (2006) 4253–4259; doi:10.1039/b606911h

data_7007533
_publ_section_title
;
 Transition metal containing decatungstosilicate dimer
 [M(H(2)O)(2)(gamma-SiW(10)O(35))(2)](10-) (M = Mn(2+), Co(2+),
 Ni(2+)).
;
_journal_issue                   35
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4253
_journal_page_last               4259
_journal_paper_doi               10.1039/b606911h
_journal_year                    2006
_chemical_formula_sum            'H20.5 K9.5 Mn O80.25 Si2 W20'
_chemical_formula_weight         5464.23
_chemical_name_systematic
;
?
;
_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_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                107.577(4)
_cell_angle_beta                 101.054(4)
_cell_angle_gamma                97.035(4)
_cell_formula_units_Z            2
_cell_length_a                   12.5742(12)
_cell_length_b                   18.9403(16)
_cell_length_c                   21.464(3)
_cell_measurement_reflns_used    9435
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      0.00
_cell_measurement_theta_min      0.00
_cell_volume                     4693.1(9)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0627
_diffrn_reflns_av_sigmaI/netI    0.0826
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            50439
_diffrn_reflns_theta_full        28.28
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         1.78
_exptl_absorpt_coefficient_mu    25.068
_exptl_absorpt_correction_T_max  0.1529
_exptl_absorpt_correction_T_min  0.0274
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    3.867
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       tablet
_exptl_crystal_F_000             4752
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.12
_refine_diff_density_max         4.992
_refine_diff_density_min         -10.632
_refine_diff_density_rms         0.566
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_matrix_type           full
_refine_ls_number_parameters     631
_refine_ls_number_reflns         23093
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.025
_refine_ls_R_factor_all          0.1151
_refine_ls_R_factor_gt           0.0913
_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^)+(0.1000P)^2^+500.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2378
_refine_ls_wR_factor_ref         0.2556
_reflns_number_gt                17375
_reflns_number_total             23093
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b606911h.txt
_cod_data_source_block           new
_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 
;
_cod_original_cell_volume        4693.1(8)
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'H20.50 K9.50 Mn O80.25 Si2 W20'
_cod_database_code               7007533