Information card for entry 2206827

Structure parameters

• Chemical name: Bis[μ-2-(semicarbazonomethyl)phenolato]- 1κ^3^O^3^,N^1^,O:2κO;1κO:2κ^3^O^3^,N^1^,O-bis[(formato-κO)copper(II)]
• Formula: C18 H18 Cu2 N6 O8
• Calculated formula: C18 H18 Cu2 N6 O8
• SMILES: c12ccccc1C=[N]1NC(N)=[O][Cu]31([O]2[Cu]12([O]=C(N[N]1=Cc1c(cccc1)[O]32)N)OC=O)OC=O
• Title of publication: Bis(μ-salicylaldehyde semicarbazonato)bis[formatocopper(II)]
• Authors of publication: Gerasimenko, Andrey V.; Davidovich, Ruven L.; Bulimestru, Ion G.; Gulea, Aurelian P.; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: m1816 - m1817
• a: 7.7562 ± 0.0005 Å
• b: 14.1641 ± 0.0008 Å
• c: 9.6837 ± 0.0006 Å
• α: 90°
• β: 102.743 ± 0.001°
• γ: 90°
• Cell volume: 1037.64 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes