Synthesis and Structure of Ag6[(UO2)3O(MoO4)5]: A Novel Sheet of Triuranyl Clusters and MoO4Tetrahedra
Sergey V. Krivovichev; Peter C. Burns; Inorganic Chemistry 41 (2002) 4108–4110; doi:10.1021/ic025662z

data_4318349
_publ_contact_author_address
; Department of Civil Engineering and Geological Sciences
  156 Fitzpatrick Hall
  University of Notre Dame
  Notre Dame, IN 46556
  U.S.A.
;
_publ_contact_author_email       pburns@nd.edu
_publ_contact_author_fax         (219)6319236
_publ_contact_author_name        'Burns, Peter C.'
_publ_contact_author_phone       (219)6317380
_publ_section_title
;
 Synthesis and Structure of Ag6[(UO2)3O(MoO4)5]: A Novel Sheet of
 Triuranyl Clusters and MoO4Tetrahedra
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4108
_journal_page_last               4110
_journal_paper_doi               10.1021/ic025662z
_journal_volume                  41
_journal_year                    2002
_chemical_formula_moiety         Ag6[(UO2)3O(MoO4)5]
_chemical_formula_sum            'Ag1.5 Mo1.25 O6.75 U0.75'
_chemical_formula_weight         568.25
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 100.014(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            16
_cell_length_a                   16.4508(14)
_cell_length_b                   11.3236(14)
_cell_length_c                   12.7418(13)
_cell_measurement_reflns_used    3435
_cell_measurement_temperature    293(2)
_cell_volume                     2337.4(4)
_computing_cell_refinement       'SAINT-NT  (Bruker, 1998)'
_computing_data_collection       'SMART-NT  (Bruker, 1998)'
_computing_data_reduction        'SAINT-NT  (Bruker, 1998)'
_computing_molecular_graphics    'ATOMS  (Dowty, 2000)'
_computing_publication_material  'SHELXTL (Bruker, 1997)'
_computing_structure_refinement  'SHELXTL (Bruker, 1997)'
_computing_structure_solution    'SHELXTL (Bruker, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.967
_diffrn_measured_fraction_theta_max 0.967
_diffrn_measurement_device_type  'Bruker SMART APEX CCD'
_diffrn_measurement_method       omega-scan
_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  0.0842
_diffrn_reflns_av_sigmaI/netI    0.0789
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            12852
_diffrn_reflns_theta_full        34.48
_diffrn_reflns_theta_max         34.48
_diffrn_reflns_theta_min         2.19
_diffrn_standards_decay_%        'no decay'
_exptl_absorpt_coefficient_mu    28.294
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    6.459
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       tables
_exptl_crystal_F_000             3936
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.05
_refine_diff_density_max         6.617
_refine_diff_density_min         -4.277
_refine_diff_density_rms         0.571
_refine_ls_extinction_coef       0.00045(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.984
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     188
_refine_ls_number_reflns         4771
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.984
_refine_ls_R_factor_all          0.0544
_refine_ls_R_factor_gt           0.0453
_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^)+(0.0415P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1019
_refine_ls_wR_factor_ref         0.1052
_reflns_number_gt                3791
_reflns_number_total             4771
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic025662z_s1.cif
_cod_data_source_block           new
_cod_original_formula_sum        'Ag1.50 Mo1.25 O6.75 U0.75'
_cod_database_code               4318349