Information card for entry 7117143

Structure parameters

• Formula: C21 H33 Cu N3 O11.5
• Calculated formula: C12 H5 Cu O5
• Title of publication: A NbO-type metal-organic framework exhibiting high deliverable capacity for methane storage
• Authors of publication: Chengling Song; Yajing Ling; Yunlong Feng; Wei Zhou; Taner Yildirim; Yabing He
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 8508
• a: 18.483 ± 0.0017 Å
• b: 18.483 ± 0.0017 Å
• c: 46.758 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 13833 ± 4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m :H
• Hall space group symbol: -R 3 2"
• Residual factor for all reflections: 0.1515
• Residual factor for significantly intense reflections: 0.1081
• Weighted residual factors for significantly intense reflections: 0.2625
• Weighted residual factors for all reflections included in the refinement: 0.2771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No