Information card for entry 4108705

Structure parameters

• Formula: C3 N Ni O3 P
• Calculated formula: C3 N Ni O3 P
• Title of publication: Structural Transformations and Adsorption of Fuel-Related Gases of a Structurally Responsive Nickel Phosphonate Metal-Organic Framework, Ni-STA-12
• Authors of publication: Stuart R. Miller; Gordon M. Pearce; Paul A. Wright; Francesca Bonino; Sachin Chavan; Silvia Bordiga; Irene Margiolaki; Nathalie Guillou; Gérard Férey; Sandrine Bourrelly; Philip L. Llewellyn
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 15967 - 15981
• a: 6.03475 ± 0.00005 Å
• b: 14.91565 ± 0.00022 Å
• c: 16.15721 ± 0.00021 Å
• α: 112.572 ± 0.0007°
• β: 95.7025 ± 0.0011°
• γ: 96.495 ± 0.0011°
• Cell volume: 1318.06 ± 0.03 ų
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• RFsqd: 0.07196
• Goodness-of-fit parameter for all reflections: 3.01
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.8002 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes