Information card for entry 4302465

Structure parameters

• Formula: C50 H50 N4 Ni3 O10
• Calculated formula: C50 H50 N4 Ni3 O10
• SMILES: c12ccccc1C=[N]1CCC[NH](C)[Ni]3451[O]=C(c1ccccc1)[O]5[Ni]15([O]24)([O]=C(c2ccccc2)O[Ni]246([O]=C(c7ccccc7)[O]14)[N](=Cc1c(cccc1)[O]56)CCC[NH]2C)[O]=C(c1ccccc1)O3
• 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: 14.1337 ± 0.0006 Å
• b: 23.2885 ± 0.001 Å
• c: 14.0731 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4632.2 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b n a
• Hall space group symbol: -P 2ac 2b
• Residual factor for all reflections: 0.1666
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.1161
• Weighted residual factors for all reflections included in the refinement: 0.1407
• Goodness-of-fit parameter for all reflections included in the refinement: 0.932
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No