Information card for entry 7228085

Structure parameters

• Common name: NJFU-3
• Chemical name: NJFU-3
• Formula: C69 H36 Cu6 O33
• Calculated formula: C69 H36 Cu6 O33
• Title of publication: A new mfj-type metal‒organic framework constructed from a methoxyl derived V-shaped ligand and its H2, CO2 and CH4 adsorption properties
• Authors of publication: Du, Liting; Lu, Zhiyong; Xu, Li; Zhang, Jinchi
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 34
• Pages of publication: 21268
• a: 24.742 ± 0.003 Å
• b: 33.475 ± 0.003 Å
• c: 18.4621 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15291 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.1022
• Residual factor for significantly intense reflections: 0.0729
• Weighted residual factors for significantly intense reflections: 0.1842
• Weighted residual factors for all reflections included in the refinement: 0.1967
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No