Information card for entry 7015087

Structure parameters

• Formula: C29 H47 Cl N8 Ni2 O11
• Calculated formula: C29 H47 Cl N8 Ni2 O11
• SMILES: O1[N](=O)[Ni]234([N](=Cc5c(cccc5)[O]3[Ni]351([N](=Cc1c(cccc1)[O]45)CCC[NH2]3)[O]=CN(C)C)CCC[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: 9.632 ± 0.005 Å
• b: 12.447 ± 0.007 Å
• c: 15.37 ± 0.009 Å
• α: 87.403 ± 0.017°
• β: 85.004 ± 0.019°
• γ: 81.392 ± 0.018°
• Cell volume: 1814 ± 1.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0896
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No