Information card for entry 4302181

Structure parameters

• Formula: C26 H36 N4 Ni2 O6
• Calculated formula: C26 H36 N4 Ni2 O6
• SMILES: c12ccccc1C=[N]1CCC[NH](C)[Ni]341([O]2[Ni]125(OC(C)=[O]5)[N](=Cc5c(cccc5)[O]42)CCC[NH]1C)OC(C)=[O]3
• Title of publication: (Ni2), (Ni3), and (Ni2+ Ni3): A Unique Example of Isolated and Cocrystallized Ni2 and Ni3 Complexes
• Authors of publication: Pampa Mukherjee; Michael G. B. Drew; Carlos J. Gómez-García; Ashutosh Ghosh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 4817 - 4827
• a: 10.056 ± 0.005 Å
• b: 16.355 ± 0.003 Å
• c: 8.5705 ± 0.0007 Å
• α: 90°
• β: 103.77 ± 0.02°
• γ: 90°
• Cell volume: 1369 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0984
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1332
• Weighted residual factors for all reflections included in the refinement: 0.1447
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No