Information card for entry 7015088

Structure parameters

• Formula: C26 H40 Cl N7 Ni2 O10
• Calculated formula: C26 H40 Cl N7 Ni2 O10
• SMILES: c12ccccc1C=[N]1CCC[NH2][Ni]341([O]2[Ni]12(O[N]4=O)([O]3c3ccccc3C=[N]1CCC[NH2]2)[O]=CN(C)C)[O]=CN(C)C.[O-]Cl(=O)(=O)=O
• Title of publication: Structural and magnetic studies of Schiff base complexes of nickel(II) nitrite: change in crystalline state, ligand rearrangement and a very rare μ-nitrito-1κO:2κN:3κO' bridging mode.
• Authors of publication: Naiya, Subrata; Wang, Hui-Sheng; Drew, Michael G. B.; Song, You; Ghosh, Ashutosh
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 12
• Pages of publication: 2744 - 2756
• a: 9.6826 ± 0.0017 Å
• b: 33.861 ± 0.01 Å
• c: 10.8615 ± 0.0008 Å
• α: 90°
• β: 110.332 ± 0.013°
• γ: 90°
• Cell volume: 3339.2 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1118
• Residual factor for significantly intense reflections: 0.0778
• Weighted residual factors for significantly intense reflections: 0.14
• Weighted residual factors for all reflections included in the refinement: 0.1491
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No