Impacts of hydrogen bonding interactions with Np(v/vi)O<sub>2</sub>Cl<sub>4</sub> complexes: vibrational spectroscopy, redox behavior, and computational analysis.
Pyrch, Mikaela M.; Bjorklund, Jennifer L.; Williams, James M.; Parr Iv, Daniel L.; Mason, Sara E.; Leddy, Johna; Forbes, Tori Z.; Dalton transactions (Cambridge, England : 2003) 49 (2020) 6854–6866; doi:10.1039/d0dt00848f

data_7704083
_publ_section_title
;
 Impacts of hydrogen bonding interactions with
 Np(v/vi)O<sub>2</sub>Cl<sub>4</sub> complexes: vibrational spectroscopy,
 redox behavior, and computational analysis.
;
_journal_issue                   20
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6854
_journal_page_last               6866
_journal_paper_doi               10.1039/d0dt00848f
_journal_volume                  49
_journal_year                    2020
_chemical_formula_sum            'C12 H30 Cl4 N3 Np O5'
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_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2019-12-17 deposited with the CCDC.	2020-04-15 downloaded from the CCDC.
;
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_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
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_diffrn_measurement_device_type  'Bruker D8 Quest'
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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^)+(0.0133P)^2^+0.8870P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                4047
_reflns_number_total             4254
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt00848f2.cif
_cod_data_source_block           p21onn_new_a
_cod_depositor_comments
'Adding full bibliography for 7704082--7704083.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7704083
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