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_2312519
_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)2 (C2 H3 O2)2 (C6 H12 N2)2], 10C4 H8 O2'
_chemical_formula_moiety         'C30 H40 Cu2 N4 O10, 10(C4 H8 O2)'
_chemical_formula_sum            'C70 H120 Cu2 N4 O30'
_chemical_formula_weight         1624.77
_chemical_name_systematic
;
Bis(\m-acetato)bis(\m-4-hydroxybenzoato)bis[(1,4-diazabicyclo[2.2.2]octane)\
copper(II)] dioxane decasolvate
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           7
_space_group_name_Hall           'P -2yc'
_space_group_name_H-M_alt        'P 1 c 1'
_atom_sites_solution_hydrogens   geom
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Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
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_cell_length_b                   20.3001(4)
_cell_length_c                   22.9088(7)
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;
CrysAlis PRO (Rigaku OD, 2023)
;
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;
CrysAlis PRO (Rigaku OD, 2023)
;
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CrysAlis PRO (Rigaku OD, 2023)
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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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_computing_structure_refinement
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SHELXL2018 (Sheldrick, 2015<i>b</i>)
;
_computing_structure_solution
;
SHELXT2018 (Sheldrick, 2015<i>a</i>)
;
_diffrn_ambient_temperature      99.99(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
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_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.959
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type
'Rigaku XtaLAB Synergy Dualflex diffractometer with a HyPix detector'
_diffrn_measurement_method       '\w scans'
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_diffrn_radiation_type           'Cu K\a'
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;
(CrysAlis PRO; Rigaku OD, 2023)
;
_exptl_crystal_colour            'clear green'
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_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.2000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_number_gt                9752
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_shelx_hkl_checksum              4928
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