Synthesis and Characterization of a Series of [M2(β-SiW8O31)2](n-) Clusters and Mechanistic Insight into the Reorganization of {β-SiW8O31} into {α-SiW9O34}.
Winter, Ross S.; Long, De-Liang; Cronin, Leroy; Inorganic chemistry 54 (2015) 4151–4155; doi:10.1021/acs.inorgchem.5b00405

data_4342751
_publ_section_title
;
 Synthesis and Characterization of a Series of [M2(\b-SiW8O31)2](n-)
 Clusters and Mechanistic Insight into the Reorganization of {\b-SiW8O31}
 into {\a-SiW9O34}.
;
_journal_issue                   8
_journal_name_full               'Inorganic chemistry'
_journal_page_first              4151
_journal_page_last               4155
_journal_paper_doi               10.1021/acs.inorgchem.5b00405
_journal_volume                  54
_journal_year                    2015
_chemical_formula_sum            'H99 Mn2 Na15 O111 Si2 W16'
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_space_group_name_Hall           '-P 1'
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_cell_measurement_reflns_used    9960
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.1
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_cell_volume                     2472.9(2)
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_computing_structure_solution    'SHELXL-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
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_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker Apex II Quasar'
_diffrn_measurement_method       '\w & \p scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_av_unetI/netI     0.0461
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_diffrn_reflns_Laue_measured_fraction_max 0.999
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_diffrn_source                   '1uS Microfocus x-ray'
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_exptl_absorpt_correction_T_min  0.272
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    3.578
_exptl_crystal_density_method    none
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_refine_ls_extinction_method     none
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_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.0367
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0198P)^2^+12.4505P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0571
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_reflns_number_total             9713
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            Mn2W16.cif
_cod_data_source_block           rw471
_cod_depositor_comments
;Adding full bibliography for 4342749--4342755.cif.

The following automatic conversions were performed:

'_atom_sites_solution_primary' value 'direct methods' was changed to
'direct'.

Automatic conversion script
Id: cif_fix_values 6452 2018-10-05 10:23:21Z andrius 
;
_cod_database_code               4342751
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_shelx_estimated_absorpt_t_min   0.190
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_shelx_res_checksum              23954
_shelx_hkl_checksum              64818