Information card for entry 7222382

Structure parameters

• Chemical name: ZJU-9
• Formula: C13 H6 Cu N0 O5
• Calculated formula: C13 H6 Cu O5
• Title of publication: A New NbO Type Metal-Organic Framework for High Acetylene and Methane Storage
• Authors of publication: Duan, Xing; Wang, Huizhen; Cui, Yuanjing; Yang, Yu; Wang, Zhiyu; Chen, Banglin; Qian, Guodong
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 18.4284 ± 0.0017 Å
• b: 18.4284 ± 0.0017 Å
• c: 40.081 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11788.1 ± 1.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.1494
• Residual factor for significantly intense reflections: 0.08
• Weighted residual factors for significantly intense reflections: 0.2093
• Weighted residual factors for all reflections included in the refinement: 0.2598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No