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_2312518
_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
'[Cu2 (C7 H5 O3)3 (C2 H3 O2) (C4 H8 O2)], 3.5C4 H8 O2'
_chemical_formula_moiety         'C27 H26 Cu2 O13, 3.5(C4 H8 O2)'
_chemical_formula_sum            'C41 H54 Cu2 O20'
_chemical_formula_weight         993.92
_chemical_name_systematic
;
(\m-Acetato)(dioxane)tris(\m-4-hydroxybenzoato)dicopper(II) dioxane 3.5-solvate
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-I 2ya'
_space_group_name_H-M_alt        'I 1 2/a 1'
_atom_sites_solution_hydrogens   mixed
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;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_cell_angle_alpha                90
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_cell_length_b                   13.0774(2)
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;
CrysAlis PRO (Rigaku OD, 2018)
;
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CrysAlis PRO (Rigaku OD, 2018)
;
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CrysAlis PRO (Rigaku OD, 2018)
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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>)
;
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;
SHELXT2014 (Sheldrick, 2015<i>a</i>)
;
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'CCD plate'
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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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;
(CrysAlis PRO; Rigaku OD, 2018)
;
_exptl_crystal_colour            'clear light blue'
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_refine_diff_density_min         -1.244
_refine_ls_extinction_method     none
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0941P)^2^+18.8122P] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_threshold_expression     'I > 2\s(I)'
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_shelx_estimated_absorpt_t_min   0.638
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