Synthesis, structure, electrochemistry and magnetism of cobalt-, nickel- and zinc-containing [M<sub>4</sub>(OH)<sub>3</sub>(H<sub>2</sub>O)<sub>2</sub>(α-SiW<sub>10</sub>O<sub>36.5</sub>)<sub>2</sub>]<sup>13-</sup> (M = Co<sup>2+</sup>, Ni<sup>2+</sup>, and Zn<sup>2+</sup>).
Haider, Ali; Bassil, Bassem S.; Lin, Zhengguo; Ma, Xiang; Haferl, Peter J.; Bindra, Jasleen K.; Kinyon, Jared; Zhang, Guangjin; Keita, Bineta; Dalal, Naresh S.; Kortz, Ulrich; Dalton transactions (Cambridge, England : 2003) 50 (2021) 3923–3930; doi:10.1039/d0dt03392h

data_7706506
_publ_section_title
;
 Synthesis, structure, electrochemistry and magnetism of cobalt-, nickel-
 and zinc-containing
 [M<sub>4</sub>(OH)<sub>3</sub>(H<sub>2</sub>O)<sub>2</sub>(\a-SiW<sub>10</sub>O<sub>36.5</sub>)<sub>2</sub>]<sup>13-</sup>
 (M = Co<sup>2+</sup>, Ni<sup>2+</sup>, and Zn<sup>2+</sup>).
;
_journal_issue                   11
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3923
_journal_page_last               3930
_journal_paper_doi               10.1039/d0dt03392h
_journal_volume                  50
_journal_year                    2021
_chemical_formula_sum            'Cs10 H29 Na2 Ni4 O98 Si2 W20'
_chemical_formula_weight         6940.33
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_audit_creation_method           SHELXL-2014/6
_audit_update_record
;
2021-01-20 deposited with the CCDC.	2021-01-26 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 100.454(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   13.0666(5)
_cell_length_b                   15.6924(6)
_cell_length_c                   23.7612(9)
_cell_measurement_reflns_used    5297
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.05
_cell_measurement_theta_min      3.30
_cell_volume                     4791.3(3)
_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-2014/6 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.969
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0934
_diffrn_reflns_av_unetI/netI     0.0863
_diffrn_reflns_Laue_measured_fraction_full 0.969
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            38995
_diffrn_reflns_point_group_measured_fraction_full 0.969
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.027
_diffrn_reflns_theta_min         3.426
_exptl_absorpt_coefficient_mu    28.558
_exptl_absorpt_correction_T_max  0.279
_exptl_absorpt_correction_T_min  0.208
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    4.811
_exptl_crystal_description       plate
_exptl_crystal_F_000             6010
_exptl_crystal_size_max          0.080
_exptl_crystal_size_mid          0.060
_exptl_crystal_size_min          0.060
_exptl_transmission_factor_max   0.279
_exptl_transmission_factor_min   0.208
_refine_diff_density_max         2.988
_refine_diff_density_min         -4.156
_refine_diff_density_rms         0.520
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     376
_refine_ls_number_reflns         8421
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.007
_refine_ls_R_factor_all          0.0903
_refine_ls_R_factor_gt           0.0531
_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^)+(0.0630P)^2^+230.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1266
_refine_ls_wR_factor_ref         0.1438
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5871
_reflns_number_total             8421
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt03392h2.cif
_cod_data_source_block           try
_cod_depositor_comments
'Adding full bibliography for 7706505--7706507.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7706506
_shelx_estimated_absorpt_t_min   0.208
_shelx_estimated_absorpt_t_max   0.279
_shelxl_version_number           2014/6
_shelx_res_checksum              61274