Information card for entry 4112835

Structure parameters

• Formula: C15 H12 N5 Ni O6
• Calculated formula: C15 H12 N5 Ni O6
• 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: 11.883 ± 0.001 Å
• b: 19.049 ± 0.001 Å
• c: 17.415 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3942 ± 0.5 ų
• Cell temperature: 375 ± 2 K
• Ambient diffraction temperature: 375 ± 2 K
• Number of distinct elements: 5
• Space group number: 68
• Hermann-Mauguin space group symbol: C c c a :2
• Hall space group symbol: -C 2a 2ac
• Residual factor for all reflections: 0.0819
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for all reflections: 0.221
• Weighted residual factors for significantly intense reflections: 0.2085
• Goodness-of-fit parameter for all reflections: 1.105
• Goodness-of-fit parameter for significantly intense reflections: 1.211
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No