Dimerization of mono-ruthenium substituted alpha-Keggin-type tungstosilicate [alpha-SiW11O39RuIII(H2O)]5- to micro-oxo-bridged dimer in aqueous solution: synthesis, structure, and redox studies.
Sadakane, Masahiro; Tsukuma, Daisuke; Dickman, Michael H.; Bassil, Bassem S.; Kortz, Ulrich; Capron, Mickaël; Ueda, Wataru; Dalton transactions (Cambridge, England : 2003)  (2007) 2833–2838; doi:10.1039/b702813j

data_7005524
_publ_section_title
;
 Dimerization of mono-ruthenium substituted alpha-Keggin-type
 tungstosilicate [alpha-SiW11O39RuIII(H2O)]5- to micro-oxo-bridged
 dimer in aqueous solution: synthesis, structure, and redox studies.
;
_journal_issue                   26
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2833
_journal_page_last               2838
_journal_paper_doi               10.1039/b702813j
_journal_year                    2007
_chemical_formula_sum            'O88.5 Rb10 Ru2 Si2 W22'
_chemical_formula_weight         6573.72
_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                72.876(3)
_cell_angle_beta                 88.447(3)
_cell_angle_gamma                80.926(3)
_cell_formula_units_Z            2
_cell_length_a                   12.7650(6)
_cell_length_b                   18.9399(10)
_cell_length_c                   20.2290(10)
_cell_measurement_reflns_used    7630
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.49
_cell_measurement_theta_min      2.53
_cell_volume                     4614.5(4)
_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 0.995
_diffrn_measured_fraction_theta_max 0.995
_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  0.1141
_diffrn_reflns_av_sigmaI/netI    0.0812
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            172634
_diffrn_reflns_theta_full        28.80
_diffrn_reflns_theta_max         28.80
_diffrn_reflns_theta_min         1.76
_exptl_absorpt_coefficient_mu    32.982
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.144
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    4.731
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       triangular
_exptl_crystal_F_000             5644
_exptl_crystal_size_max          0.355
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.064
_refine_diff_density_max         5.986
_refine_diff_density_min         -3.384
_refine_diff_density_rms         0.564
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_matrix_type           full
_refine_ls_number_parameters     758
_refine_ls_number_reflns         23977
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.0880
_refine_ls_R_factor_gt           0.0542
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0800P)^2^+57.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1436
_refine_ls_wR_factor_ref         0.1666
_reflns_number_gt                16595
_reflns_number_total             23977
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b702813j.txt
_cod_data_source_block           dimer
_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_sg_symbol_H-M      P-1
_cod_original_formula_sum        'O88.50 Rb10 Ru2 Si2 W22'
_cod_database_code               7005524