Information card for entry 7104603

Structure parameters

• Common name: PCN-19
• Formula: C48 H24 Ni3 O16
• Calculated formula: C48 H24 Ni3 O16
• Title of publication: A nanotubular metal-organic framework with permanent porosity: structure analysis and gas sorption studies.
• Authors of publication: Ma, Shengqian; Simmons, Jason M; Yuan, Daqiang; Li, Jian-Rong; Weng, Wei; Liu, Di-Jia; Zhou, Hong-Cai
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 27
• Pages of publication: 4049 - 4051
• a: 15.551 ± 0.0003 Å
• b: 15.551 ± 0.0003 Å
• c: 16.364 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3427.18 ± 0.14 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• Space group number: 163
• Hermann-Mauguin space group symbol: P -3 1 c
• Hall space group symbol: -P 3 2c
• Residual factor for all reflections: 0.1018
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1361
• Weighted residual factors for all reflections included in the refinement: 0.147
• Goodness-of-fit parameter for all reflections included in the refinement: 0.902
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No