Information card for entry 4108703

Structure parameters

• Formula: C3 N Ni O6.94 P
• Calculated formula: C3 N Ni O6.9336 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: 27.83424 ± 0.00011 Å
• b: 27.83424 Å
• c: 6.242081 ± 0.000026 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4188.12 ± 0.02 ų
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• RFsqd: 0.07533
• Goodness-of-fit parameter for all reflections: 2.45
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.8002 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes