Information card for entry 7106134

Structure parameters

• Formula: C14 H8 Cu N2 O5
• Calculated formula: C14 H8 Cu N2 O5
• 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: 8.497 ± 0.005 Å
• b: 10.296 ± 0.004 Å
• c: 17.749 ± 0.007 Å
• α: 90°
• β: 104.624 ± 0.018°
• γ: 90°
• Cell volume: 1502.5 ± 1.2 ų
• Cell temperature: 453 ± 1 K
• Ambient diffraction temperature: 453 ± 1 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: 0.0513
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.1145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No