Information card for entry 7216011

Structure parameters

• Formula: C12 H18 Cu N2 O4
• Calculated formula: C12 H18 Cu N2 O4
• Title of publication: Solvent hydrolysis leads to an unusual Cu(ii) metal‒organic framework
• Authors of publication: Hawxwell, Samuel M.; Brammer, Lee
• Journal of publication: CrystEngComm
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 6
• Pages of publication: 473
• a: 10.276 ± 0.003 Å
• b: 9.891 ± 0.002 Å
• c: 13.244 ± 0.003 Å
• α: 90°
• β: 90.573 ± 0.005°
• γ: 90°
• Cell volume: 1346.1 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1087
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1883
• Weighted residual factors for all reflections included in the refinement: 0.2191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7203371
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No