Information card for entry 7212199

Structure parameters

• Chemical name: [Cu(M4)(Im)(H2O)]-H2O
• Formula: C17 H16 Cu N4 O7
• Calculated formula: C17 H16 Cu N4 O7
• Title of publication: Metal‒organic frameworks with pyridyl- and carboxylate-containing ligands: syntheses, structures and properties
• Authors of publication: Chen, Man-Sheng; Bai, Zheng-Shuai; Okamura, Taka-aki; Su, Zhi; Chen, Shui-Sheng; Sun, Wei-Yin; Ueyama, Norikazu
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 6
• Pages of publication: 1935
• a: 7.435 ± 0.003 Å
• b: 18.746 ± 0.005 Å
• c: 12.541 ± 0.005 Å
• α: 90°
• β: 101.762 ± 0.014°
• γ: 90°
• Cell volume: 1711.2 ± 1.1 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 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: 0.0371
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.0765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No