A large, X-shaped polyoxometalate [As<sub>6</sub>Fe<sub>7</sub>Mo<sub>22</sub>O<sub>98</sub>]<sup>25-</sup> assembled from [AsMo<sub>7</sub>O<sub>27</sub>]<sup>9-</sup> and [FeMo<sub>4</sub>O<sub>19</sub>]<sup>11-</sup> moieties.
Wu, Panfeng; Zhang, Yanping; Feng, Caiting; Liu, Bin; Hu, Huaiming; Xue, Ganglin; Dalton transactions (Cambridge, England : 2003) 47 (2018) 15661–15665; doi:10.1039/c8dt02647e

data_7047803
_publ_section_title
;
 A large, X-shaped polyoxometalate
 [As<sub>6</sub>Fe<sub>7</sub>Mo<sub>22</sub>O<sub>98</sub>]<sup>25-</sup>
 assembled from [AsMo<sub>7</sub>O<sub>27</sub>]<sup>9-</sup> and
 [FeMo<sub>4</sub>O<sub>19</sub>]<sup>11-</sup> moieties.
;
_journal_issue                   44
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              15661
_journal_page_last               15665
_journal_paper_doi               10.1039/c8dt02647e
_journal_volume                  47
_journal_year                    2018
_chemical_formula_sum            'As6 Fe7 H126 Mo22 N25 O111'
_chemical_formula_weight         5204.41
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   none
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                95.136(2)
_cell_angle_beta                 106.825(2)
_cell_angle_gamma                94.628(2)
_cell_formula_units_Z            1
_cell_length_a                   11.9020(17)
_cell_length_b                   15.599(2)
_cell_length_c                   16.875(2)
_cell_measurement_reflns_used    3026
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.36
_cell_measurement_theta_min      2.31
_cell_volume                     2968.1(7)
_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      296(2)
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0387
_diffrn_reflns_av_sigmaI/netI    0.0893
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            14761
_diffrn_reflns_theta_full        25.05
_diffrn_reflns_theta_max         25.05
_diffrn_reflns_theta_min         1.80
_exptl_absorpt_coefficient_mu    4.849
_exptl_absorpt_correction_T_max  0.678
_exptl_absorpt_correction_T_min  0.564
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadbas
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.912
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2493
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.552
_refine_diff_density_min         -1.258
_refine_diff_density_rms         0.273
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.992
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     677
_refine_ls_number_reflns         10301
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.992
_refine_ls_R_factor_all          0.1008
_refine_ls_R_factor_gt           0.0599
_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^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1535
_refine_ls_wR_factor_ref         0.1814
_reflns_number_gt                6584
_reflns_number_total             10301
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c8dt02647e2.cif
_cod_data_source_block           xb3854_0m
_cod_depositor_comments          'Adding full bibliography for 7047803.cif.'
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7047803