Information card for entry 4302463

Structure parameters

• Formula: C22 H30 N6 Ni2 O8
• Calculated formula: C22 H30 N6 Ni2 O8
• SMILES: c12ccccc1C=[N]1CCC[NH]([Ni]341([O]2[Ni]125([N](=Cc4c(cccc4)[O]42)CCC[NH]1C)ON(=[O]5)=O)ON(=[O]3)=O)C
• Title of publication: The Crucial Role of Polyatomic Anions in Molecular Architecture: Structural And Magnetic Versatility of Five Nickel(II) Complexes Derived from A N,N,O-Donor Schiff Base Ligand
• 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: 5848 - 5860
• a: 15.6192 ± 0.0018 Å
• b: 19.3293 ± 0.0012 Å
• c: 16.98 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5126.4 ± 1.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1193
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 0.714
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No