Self-Sorting of Heteroanions in the Assembly of Cross-Shaped Polyoxometalate Clusters.
Zheng, Qi; Vilà-Nadal, Laia; Lang, Zhongling; Chen, Jia-Jia; Long, De-Liang; Mathieson, Jennifer S.; Poblet, Josep M.; Cronin, Leroy; Journal of the American Chemical Society 140 (2018) 2595–2601; doi:10.1021/jacs.7b11982

data_4131876
_publ_section_title
;
 Self-Sorting of Heteroanions in the Assembly of Cross-Shaped
 Polyoxometalate Clusters.
;
_journal_issue                   7
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2595
_journal_page_last               2601
_journal_paper_doi               10.1021/jacs.7b11982
_journal_volume                  140
_journal_year                    2018
_chemical_formula_sum            'C46 H248 N23 Na9 O254 P4 Se4 W64'
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_space_group_crystal_system      tetragonal
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_space_group_name_Hall           '-P 4bc'
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_cell_length_c                   14.1884(9)
_cell_measurement_reflns_used    9638
_cell_measurement_temperature    150(2)
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_cell_measurement_theta_min      2.20
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_diffrn_ambient_temperature      150(2)
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_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker Apex II Quazar CCD'
_diffrn_measurement_method       '\w & \p scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_unetI/netI     0.0295
_diffrn_reflns_Laue_measured_fraction_full 1.000
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_diffrn_reflns_limit_h_max       43
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_diffrn_source                   'fine-focus sealed tube'
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_exptl_absorpt_correction_type   empirical
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_exptl_crystal_colour            colourless
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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^)+(0.0368P)^2^+1041.9592P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_cod_original_cell_volume        17249.8(19)
_cod_original_sg_symbol_H-M      'P 42/n'
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_shelx_res_checksum              16024
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