Crystal structure of an ordered [WOF~5~]^{-^} salt: (1,10-phen-H)[WOF~5~] (1,10-phen = 1,10-phenanthroline)
Turnbull, Douglas; Gerken, Michael; Acta Crystallographica Section E 76 (2020) 1345–1348; doi:10.1107/S2056989020009767

data_2243510
_publ_section_title
;
 Crystal structure of an ordered [WOF~5~]^{-^} salt: (1,10-phen-H)[WOF~5~]
 (1,10-phen = 1,10-phenanthroline)
;
_journal_coeditor_code           CQ2038
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              1345
_journal_page_last               1348
_journal_paper_doi               10.1107/S2056989020009767
_journal_volume                  76
_journal_year                    2020
_chemical_formula_iupac          '(C12 H9 N2) [W O F5]'
_chemical_formula_moiety         'C12 H9 N2, F5 O W'
_chemical_formula_sum            'C12 H9 F5 N2 O W'
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_chemical_name_systematic
;
1,10-Phenanthrolinium pentafluoridooxidotungstate(VI)
;
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2yn'
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Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
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_cell_measurement_temperature    112.0(3)
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;
CrysAlisPro (Rigaku OD, 2015)
;
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CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)
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CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)
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XP (Sheldrick, 2008)
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<i>OLEX2</i> (Dolomanov <i>et al.</i>,  2009)
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ShelXL (Sheldrick, 2015b)
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ShelXT (Sheldrick, 2015a)
;
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'Rigaku SuperNova, Dual source (Mo and Cu), Pilatus 200/300K'
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;
[Numeric absorption correction using a multifaceted crystal
model based on expressions derived by
Clark & Reid (1995) implemented in CrysAlisPro
(Rigaku OD, 2015). Empirical absorption correction
using spherical harmonics, implemented in SCALE3 ABSPACK]
;
_exptl_crystal_colour            'clear colourless'
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_exptl_crystal_size_mid          0.119
_exptl_crystal_size_min          0.063
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0179P)^2^+0.7231P] where P=(Fo^2^+2Fc^2^)/3'
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_refine_ls_wR_factor_ref         0.0376
_reflns_number_gt                2652
_reflns_number_total             2908
_reflns_threshold_expression     'I > 2\s(I)'
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