Information card for entry 4112300

Structure parameters

• Chemical name: dinickel aspartato-diaqua-oxide tetrahydrate
• Formula: C4 H13 N Ni2 O9
• Calculated formula: C4 N Ni2 O9
• 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: 19.13 ± 0.005 Å
• b: 19.13 ± 0.005 Å
• c: 11.379 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4164 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1502
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1255
• Weighted residual factors for all reflections included in the refinement: 0.1441
• Goodness-of-fit parameter for all reflections included in the refinement: 0.896
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No