Information card for entry 4309472

Structure parameters

• Common name: Copper hydroxide 4-pyridine-carboxylate hydrate
• Chemical name: Copper hydroxide 4-pyridine-carboxylate hydrate
• Formula: C6 H7 Cu N O4
• Calculated formula: C6 H7 Cu N O4
• Title of publication: Open Metal-Organic Framework Containing Cuprate Chains
• Authors of publication: Dat T. Tran; Xiaojuan Fan; Daniel P. Brennan; Peter Y. Zavalij; Scott R. J. Oliver
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 6192 - 6196
• a: 3.5521 ± 0.0002 Å
• b: 15.8665 ± 0.0011 Å
• c: 12.9977 ± 0.0009 Å
• α: 90°
• β: 95.285 ± 0.002°
• γ: 90°
• Cell volume: 729.43 ± 0.08 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No