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_2312516
_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)4 (C10 H8 N2 O2)], H2 O'
_chemical_formula_moiety         'C38 H28 Cu2 N2 O14, H2 O'
_chemical_formula_sum            'C38 H30 Cu2 N2 O15'
_chemical_formula_weight         881.72
_chemical_name_systematic
'<i>catena</i>-Poly[[tetrakis(\m-4-hydroxybenzoato)dicopper(II)]-\m-(4,4-bipyridine <i>N</i>,<i>N</i>'-dioxide)]'
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
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_audit_creation_method
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_cell_angle_alpha                90
_cell_angle_beta                 92.637(5)
_cell_angle_gamma                90
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_cell_length_b                   17.7472(11)
_cell_length_c                   17.1294(10)
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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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_computing_structure_refinement
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SHELXL2018 (Sheldrick, 2015<i>b</i>)
;
_computing_structure_solution
;
SHELXT2014 (Sheldrick, 2015<i>a</i>)
;
_diffrn_ambient_temperature      130.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.2273
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.962
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type
'Rigaku OD SuperNova Dual source diffractometer with an Atlas detector'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
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_diffrn_reflns_av_R_equivalents  0.0243
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_diffrn_reflns_limit_k_min       -22
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;
(CrysAlis PRO; Rigaku OD, 2018)
;
_exptl_crystal_colour            'dark green'
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_exptl_crystal_size_min          0.054
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_refine_diff_density_min         -0.566
_refine_ls_extinction_method     none
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_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0627P)^2^+1.6515P] where P=(Fo^2^+2Fc^2^)/3'
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_refine_ls_wR_factor_ref         0.0983
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_reflns_threshold_expression     'I > 2\s(I)'
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