Use of vibrational spectroscopy to identify the formation of neptunyl–neptunyl interactions: a paired density functional theory and Raman spectroscopy study
Pyrch, Mikaela M.; Augustine, Logan J.; Williams, James M.; Mason, Sara E.; Forbes, Tori Z.; Dalton Transactions  (2022) –; doi:10.1039/D2DT00200K

data_7709683
_publ_section_title
;
 Use of vibrational spectroscopy to identify the formation of
 neptunyl--neptunyl interactions: a paired density functional theory and
 Raman spectroscopy study
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D2DT00200K
_journal_year                    2022
_chemical_formula_sum            'N6 Na Np3 O25'
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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^)+(0.0248P)^2^+0.4967P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           p6onm_b_pl_sq
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