Information card for entry 4110769

Structure parameters

• Formula: C8 H24.1 N2 Ni2.5 O15.55
• Calculated formula: C8 H11 N2 Ni2.5 O14.285
• Title of publication: Chiral Three-Dimensional Microporous Nickel Aspartate with Extended Ni-O-Ni Bonding
• Authors of publication: Ekaterina V. Anokhina; Yong Bok Go; Yongjae Lee; Thomas Vogt; Allan J. Jacobson
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 9957 - 9962
• a: 18.186 ± 0.007 Å
• b: 18.186 ± 0.007 Å
• c: 11.706 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3872 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.1062
• Residual factor for significantly intense reflections: 0.084
• Weighted residual factors for significantly intense reflections: 0.2188
• Weighted residual factors for all reflections included in the refinement: 0.2413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.9223 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No