Information card for entry 7201760

Structure parameters

• Formula: C12 H10 Cl8 Cu N2 O2
• Calculated formula: C12 H10 Cl8 Cu N2 O2
• SMILES: [Cu](Cl)(Cl)([Cl-])[Cl-].O.O.Clc1c([NH3+])cc(Cl)c(c1)c1cc(Cl)c([NH3+])cc1Cl
• Title of publication: Structures of hybrid inorganic‒organic salts with benzidine dication derivatives
• Authors of publication: Dobrzycki, Lukasz; Woźniak, Krzysztof
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 5
• Pages of publication: 525
• a: 10.8203 ± 0.0009 Å
• b: 13.0489 ± 0.001 Å
• c: 29.142 ± 0.002 Å
• α: 90°
• β: 91.024 ± 0.006°
• γ: 90°
• Cell volume: 4114 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1588
• Residual factor for significantly intense reflections: 0.0948
• Weighted residual factors for significantly intense reflections: 0.2834
• Weighted residual factors for all reflections included in the refinement: 0.323
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No