Information card for entry 4302462

Structure parameters

• Formula: C22 H34 N10 Ni2 O4
• Calculated formula: C22 H34 N10 Ni2 O4
• SMILES: c12ccccc1C=[N]1CCC[NH]([Ni]31(O2)([OH2])[N](=N#N)[Ni]12([N]3=N#N)([N](=Cc3c(cccc3)O2)CCC[NH]1C)[OH2])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: 6.8549 ± 0.0003 Å
• b: 19.7038 ± 0.0009 Å
• c: 10.2237 ± 0.0006 Å
• α: 90°
• β: 97.88 ± 0.004°
• γ: 90°
• Cell volume: 1367.85 ± 0.12 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: 0.093
• Residual factor for significantly intense reflections: 0.0749
• Weighted residual factors for significantly intense reflections: 0.1498
• Weighted residual factors for all reflections included in the refinement: 0.1565
• Goodness-of-fit parameter for all reflections included in the refinement: 1.204
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No