Information card for entry 4112836

Structure parameters

• Formula: C30 H24 N10 Ni2 O12
• Calculated formula: C30 H24 N10 Ni2 O12
• Title of publication: Adsorption of Gases and Vapors on Nanoporous Ni2(4,4'-Bipyridine)3(NO3)4 Metal-Organic Framework Materials Templated with Methanol and Ethanol: Structural Effects in Adsorption Kinetics
• Authors of publication: Ashleigh J. Fletcher; Edmund J. Cussen; Darren Bradshaw; Matthew J. Rosseinsky; K. Mark Thomas
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 9750 - 9759
• a: 11.2657 ± 0.0018 Å
• b: 20.517 ± 0.004 Å
• c: 34.413 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7954 ± 3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 1 K
• Number of distinct elements: 5
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.1359
• Residual factor for significantly intense reflections: 0.0704
• Weighted residual factors for significantly intense reflections: 0.1972
• Weighted residual factors for all reflections included in the refinement: 0.2208
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No