Information card for entry 7009549

Structure parameters

• Formula: C22 H16 Cl4 Cu N2 O12
• Calculated formula: C22 H16 Cl4 Cu0.5 N2 O12
• Title of publication: Novel layered structures constructed from metal(II)‒chloranilate monomer compounds
• Authors of publication: Kawata, Satoshi; Kumagai, Hitoshi; Adachi, Keiichi; Kitagawa, Susumu
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 14
• Pages of publication: 2409
• a: 9.028 ± 0.002 Å
• b: 9.797 ± 0.002 Å
• c: 8.764 ± 0.002 Å
• α: 113.17 ± 0.02°
• β: 117.23 ± 0.01°
• γ: 71.65 ± 0.02°
• Cell volume: 625 ± 0.3 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0335
• Goodness-of-fit parameter for significantly intense reflections: 1.583
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No