Information card for entry 2220144

Structure parameters

• Formula: C54 H48 Cu2 N4 O10
• Calculated formula: C54 H48 Cu2 N4 O10
• SMILES: c1(ccccc1)Nc1c(C2=[O][Cu]345([Cu]([OH]C)([O]=C(c6ccccc6Nc6ccccc6)O3)(O2)(OC(=[O]5)c2ccccc2Nc2ccccc2)[O]=C(O4)c2ccccc2Nc2ccccc2)[OH]C)cccc1
• Title of publication: Tetrakis(μ-2-anilinobenzoato)bis[methanolcopper(II)](<i>Cu</i>—<i>Cu</i>)
• Authors of publication: Xin, Chun-Wei; Liu, Fu-Chen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: m1589
• a: 7.2467 ± 0.0014 Å
• b: 14.171 ± 0.003 Å
• c: 23.813 ± 0.005 Å
• α: 90°
• β: 97.11 ± 0.03°
• γ: 90°
• Cell volume: 2426.6 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.099
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes