Bis[tetraruthenium(IV)]-Containing Polyoxometalates: [{RuIV4O6(H2O)9}2Sb2W20O68(OH)2]4- and [{RuIV4O6(H2O)9}2{Fe(H2O)2}2{β-TeW9O33}2H]-
Irina V. Kalinina; Natalya V. Izarova; Ulrich Kortz; Inorganic Chemistry 51 (2012) 7442–7444; doi:10.1021/ic300849b

data_4329726
_publ_contact_author_address
;Jacobs University
School of Engineering and Science
P.O. Box 750 561
28725 Bremen
Germany
;
_publ_contact_author_email       u.kortz@jacobs-university.de
_publ_contact_author_fax         '+49-421-200 3229'
_publ_contact_author_name        'Ulrich Kortz'
_publ_contact_author_phone       '+49-421-200 3235'
_publ_section_title
;
 Bis[tetraruthenium(IV)]-Containing Polyoxometalates:
 [{RuIV4O6(H2O)9}2Sb2W20O68(OH)2]4- and
 [{RuIV4O6(H2O)9}2{Fe(H2O)2}2{\b-TeW9O33}2H]-
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7442
_journal_page_last               7444
_journal_paper_doi               10.1021/ic300849b
_journal_volume                  51
_journal_year                    2012
_chemical_formula_sum            'H138 N4 O142 Ru8 Sb2 W20'
_chemical_formula_weight         7196.20
_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                99.820(3)
_cell_angle_beta                 100.265(3)
_cell_angle_gamma                98.563(3)
_cell_formula_units_Z            1
_cell_length_a                   12.8277(6)
_cell_length_b                   14.7639(7)
_cell_length_c                   15.5790(7)
_cell_measurement_reflns_used    8218
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.65
_cell_measurement_theta_min      2.34
_cell_volume                     2811.4(2)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_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  0.1193
_diffrn_reflns_av_sigmaI/netI    0.0715
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            126670
_diffrn_reflns_theta_full        29.13
_diffrn_reflns_theta_max         29.13
_diffrn_reflns_theta_min         3.21
_exptl_absorpt_coefficient_mu    22.023
_exptl_absorpt_correction_T_max  0.2503
_exptl_absorpt_correction_T_min  0.0647
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    4.250
_exptl_crystal_description       block
_exptl_crystal_F_000             3236
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.09
_refine_diff_density_max         4.307
_refine_diff_density_min         -4.576
_refine_diff_density_rms         0.475
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.082
_refine_ls_matrix_type           full
_refine_ls_number_parameters     392
_refine_ls_number_reflns         14970
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.082
_refine_ls_R_factor_all          0.0886
_refine_ls_R_factor_gt           0.0545
_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^)+(0.0740P)^2^+33.5000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1414
_refine_ls_wR_factor_ref         0.1607
_reflns_number_gt                10241
_reflns_number_total             14970
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic300849b_si_002_2.cif
_cod_data_source_block           Ru8Sb2W20
_cod_database_code               4329726