Supramolecular hydrogen-bonded networks formed from copper(II) carboxylate dimers.
Abrahams, Brendan F.; Commons, Christopher J.; Hudson, Timothy A.; Sanchez-Arlt, Robin; Acta crystallographica. Section C, Structural chemistry 80 (2024) –; doi:10.1107/S2053229624004534

data_2312510
_publ_section_title
;
 Supramolecular hydrogen-bonded networks formed from copper(II)
 carboxylate dimers.
;
_journal_coeditor_code           JX3083
_journal_issue                   6
_journal_name_full
'Acta crystallographica. Section C, Structural chemistry'
_journal_paper_doi               10.1107/S2053229624004534
_journal_volume                  80
_journal_year                    2024
_chemical_formula_iupac
'(C8 H20 N) [Cu2 (C7 H5 O3)2 (C7 H4.5 O3)2 (C H4 O) (H2 O)], 2C4 H8 O2'
_chemical_formula_moiety         'C8 H20 N +, C29 H25 Cu2 O14 -, 2(C4 H8 O2)'
_chemical_formula_sum            'C45 H61 Cu2 N O18'
_chemical_formula_weight         1031.02
_chemical_name_systematic
;
Tetraethylammonium
aquatris(\m-4-hydroxybenzoato)methanol(\m-4-oxidobenzoato)dicopper(II) dioxane
disolvate
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
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;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
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;
CrysAlis PRO (Rigaku OD, 2018)
;
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;
CrysAlis PRO (Rigaku OD, 2018)
;
_computing_data_reduction
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CrysAlis PRO (Rigaku OD, 2018)
;
_computing_molecular_graphics
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OLEX2 (Dolomanov <i>et al.</i>, 2009)
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OLEX2 (Dolomanov <i>et al.</i>, 2009)
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;
SHELXL2018 (Sheldrick, 2015<i>b</i>)
;
_diffrn_ambient_temperature      100.00(10)
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_diffrn_measurement_device       'four-circle diffractometer'
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'Rigaku XtaLAB Synergy Dualflex diffractometer with a HyPix detector'
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_diffrn_radiation_type           CuK\a
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;
(CrysAlis PRO; Rigaku OD, 2018)
;
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_refine_ls_shift/su_mean         0.000
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'w=1/[\s^2^(Fo^2^)+(0.1206P)^2^+1.2732P] where P=(Fo^2^+2Fc^2^)/3'
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_refine_ls_wR_factor_ref         0.1999
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