Information card for entry 7106135

Structure parameters

• Formula: C15 H12 Cu N2 O6
• Calculated formula: C15 H8 Cu N2 O6
• Title of publication: Single-crystal-to-single-crystal transformations and selective adsorption of porous copper(II) frameworks
• Authors of publication: Man-Sheng Chen; Min Chen; Satoshi Takamizawa; Taka-aki Okamura; Jian Fan; Wei-Yin Sun
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 3787
• a: 8.4283 ± 0.0011 Å
• b: 10.2553 ± 0.0013 Å
• c: 17.8159 ± 0.0018 Å
• α: 90°
• β: 104.408 ± 0.005°
• γ: 90°
• Cell volume: 1491.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1321
• Residual factor for significantly intense reflections: 0.1262
• Weighted residual factors for significantly intense reflections: 0.2813
• Weighted residual factors for all reflections included in the refinement: 0.2841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.336
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No