Two sandwich arsenomolybdates based on the new building block As(iii)Mo7O279−: [Cr2(AsMo7O27)2]12− and [Cu2(AsMo7O27)2]14−
Li, Lili; Shen, Qiang; Xue, Ganglin; Xu, Haisheng; Hu, Huaiming; Feng, Fu; Wang, Jiwu; Dalton Transactions  (2008) 5698–5700; doi:10.1039/b809545k

data_7004635
_publ_section_title
;
 Two sandwich arsenomolybdates based on the new building block
 As(iii)Mo7O279&#x2212;: [Cr2(AsMo7O27)2]12&#x2212; and
 [Cu2(AsMo7O27)2]14&#x2212;
;
_journal_issue                   42
_journal_name_full               'Dalton Transactions'
_journal_page_first              5698
_journal_page_last               5700
_journal_paper_doi               10.1039/b809545k
_journal_year                    2008
_chemical_formula_sum            'As2 Cr2 H70 Mo14 N12 O65'
_chemical_formula_weight         2875.68
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   none
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 92.222(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.264(3)
_cell_length_b                   19.289(6)
_cell_length_c                   16.184(5)
_cell_measurement_temperature    293(2)
_cell_volume                     3513.7(18)
_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      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0576
_diffrn_reflns_av_sigmaI/netI    0.0810
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            17926
_diffrn_reflns_theta_full        25.10
_diffrn_reflns_theta_max         25.10
_diffrn_reflns_theta_min         1.64
_exptl_absorpt_coefficient_mu    3.757
_exptl_absorpt_correction_T_max  0.615
_exptl_absorpt_correction_T_min  0.436
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    2.718
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2752
_exptl_crystal_size_max          0.272
_exptl_crystal_size_mid          0.186
_exptl_crystal_size_min          0.129
_refine_diff_density_max         2.550
_refine_diff_density_min         -1.177
_refine_diff_density_rms         0.245
_refine_ls_extinction_coef       0.00023(9)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.136
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     378
_refine_ls_number_reflns         6252
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.136
_refine_ls_R_factor_all          0.0822
_refine_ls_R_factor_gt           0.0560
_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^)+(0.0953P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1658
_refine_ls_wR_factor_ref         0.1828
_reflns_number_gt                4370
_reflns_number_total             6252
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b809545k.txt
_cod_data_source_block           xb0937
_cod_original_cell_volume        3513.4(18)
_cod_original_sg_symbol_H-M      P21/n
_cod_database_code               7004635