Synthesis, Structure, and Magnetic Electrochemical Properties of a Family of Tungstoarsenates Containing Just Co(II) Centers or Both Co(II) and Fe(III) Centers.
Ayingone Mezui, Charyle S.; de Oliveira, Pedro; Teillout, Anne-Lucie; Marrot, Jérôme; Berthet, Patrick; Lebrini, Mounim; Mbomekallé, Israël M; Inorganic chemistry 56 (2017) 1999–2012; doi:10.1021/acs.inorgchem.6b02593

data_4345188
_publ_section_title
;
 Synthesis, Structure, and Magnetic Electrochemical Properties of a Family
 of Tungstoarsenates Containing Just Co(II) Centers or Both Co(II) and
 Fe(III) Centers.
;
_journal_issue                   4
_journal_name_full               'Inorganic chemistry'
_journal_page_first              1999
_journal_page_last               2012
_journal_paper_doi               10.1021/acs.inorgchem.6b02593
_journal_volume                  56
_journal_year                    2017
_chemical_formula_sum            'As4 Co3 Na18 O154 W30'
_chemical_formula_weight         8869.79
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 91.1700(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   17.0622(5)
_cell_length_b                   15.0828(4)
_cell_length_c                   32.0872(8)
_cell_measurement_reflns_used    9541
_cell_measurement_temperature    275(2)
_cell_measurement_theta_max      30.19
_cell_measurement_theta_min      2.23
_cell_volume                     8255.8(4)
_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-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      275(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0560
_diffrn_reflns_av_unetI/netI     0.0432
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       45
_diffrn_reflns_limit_l_min       -45
_diffrn_reflns_number            144205
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.251
_diffrn_reflns_theta_min         1.194
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    22.045
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, V2004/1)'
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    3.568
_exptl_crystal_description       parallelepiped
_exptl_crystal_F_000             7726
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.150
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_exptl_transmission_factor_min   0.073
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_refine_diff_density_rms         1.213
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         24383
_refine_ls_number_restraints     525
_refine_ls_restrained_S_all      1.051
_refine_ls_R_factor_all          0.0947
_refine_ls_R_factor_gt           0.0732
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1085P)^2^+1041.1865P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1912
_refine_ls_wR_factor_ref         0.2209
_reflns_Friedel_coverage         0.000
_reflns_number_gt                19943
_reflns_number_total             24383
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           silv048
_cod_depositor_comments          'Adding full bibliography for 4345188.cif.'
_cod_database_code               4345188
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.073
_shelx_estimated_absorpt_t_max   0.137
_exptl_absorpt_special_details   'Blessing, Acta Cryst. (1995) A51, 33-38'
_shelx_res_checksum              84349
_shelx_hkl_checksum              97638