Information card for entry 7030480

Structure parameters

• Formula: C21 H29 Cu1.5 N16 O3
• Calculated formula: C21 H29 Cu1.5 N16 O3
• Title of publication: Copper-organic frameworks assembled from in situ generated 5-(4-pyridyl)tetrazole building blocks: synthesis, structural features, topological analysis and catalytic oxidation of alcohols.
• Authors of publication: Nasani, Rajendar; Saha, Manideepa; Mobin, Shaikh M.; Martins, Luísa M D R S; Pombeiro, Armando J. L.; Kirillov, Alexander M.; Mukhopadhyay, Suman
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 26
• Pages of publication: 9944 - 9954
• a: 13.0662 ± 0.0003 Å
• b: 14.7659 ± 0.0003 Å
• c: 15.3925 ± 0.0003 Å
• α: 90°
• β: 90.296 ± 0.002°
• γ: 90°
• Cell volume: 2969.7 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0404
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.1002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No