Information card for entry 7009550

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: 13.72 ± 0.004 Å
• b: 9.562 ± 0.005 Å
• c: 9.656 ± 0.002 Å
• α: 90°
• β: 90.53 ± 0.02°
• γ: 90°
• Cell volume: 1266.7 ± 0.8 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 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 significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.0529
• Goodness-of-fit parameter for significantly intense reflections: 1.664
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No