In Situ Formation of Unprecedented Neptunium-Oxide Wheel Clusters Stabilized in a Metal-Organic Framework.
Gilson, Sara E.; Li, Peng; Szymanowski, Jennifer E. S.; White, Jacob; Ray, Debmalya; Gagliardi, Laura; Farha, Omar K.; Burns, Peter C.; Journal of the American Chemical Society 141 (2019) 11842–11846; doi:10.1021/jacs.9b06187

data_4128610
_publ_section_title
;
 In Situ Formation of Unprecedented Neptunium-Oxide Wheel Clusters
 Stabilized in a Metal-Organic Framework.
;
_journal_issue                   30
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              11842
_journal_page_last               11846
_journal_paper_doi               10.1021/jacs.9b06187
_journal_volume                  141
_journal_year                    2019
_chemical_formula_sum            'C102 H90 Br6 F6 N1.5 Np18 O78'
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_space_group_name_Hall           '-P 6'
_space_group_name_H-M_alt        'P 6/m'
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_diffrn_ambient_temperature      273(2)
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_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_theta_min         1.091
_diffrn_source                   'Incoatec micro-focus'
_exptl_absorpt_coefficient_mu    15.466
_exptl_absorpt_process_details   'SADABS (Krause et al., 2015)'
_exptl_crystal_colour            'emerald green'
_exptl_crystal_density_diffrn    3.630
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         5146
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_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1051P)^2^+134.2375P] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           test2_a_sq
_cod_original_cell_volume        6811(2)
_cod_original_formula_sum        'C102 H90 Br6 F6 N1.50 Np18 O78'
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