Information card for entry 4112329

Structure parameters

• Chemical name: dinickel aspartato-diaqua-oxide tetrahydrate
• Formula: C4 H17 N Ni2 O11
• Calculated formula: C4 N Ni2 O10
• Title of publication: [Ni2O(l-Asp)(H2O)2].4H2O: A Homochiral 1D Helical Chain Hybrid Compound with Extended Ni-O-Ni Bonding
• Authors of publication: Ekaterina V. Anokhina; Allan J. Jacobson
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 3044 - 3045
• a: 13.9323 ± 0.0012 Å
• b: 14.6573 ± 0.0012 Å
• c: 12.1926 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2489.8 ± 0.4 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• RFsqd: 0.2784
• Goodness-of-fit parameter for all reflections: 3.29
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.5405 Å
• Diffraction radiation type: Kα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes