Information card for entry 7007965

Structure parameters

• Formula: C46 H52 N10 Ni3 O12
• Calculated formula: C46 H52 N10 Ni3 O12
• SMILES: c1cccc2C[N]34[Ni]5(OC(=O)C)([n]12)[N]1([Ni]2673[n]3c(cccc3C4=O)C(=O)[N]32Cc2cccc[n]2[Ni]23([n]3ccccc3C[N]62C(=O)c2cccc(C1=O)[n]72)OC(=O)C)Cc1cccc[n]51.CO.CO.CO.CO
• Title of publication: Complexes of 2,6-bis[N-(2'-pyridylmethyl)carbamyl]pyridine: formation of mononuclear complexes, and self-assembly of double helical dinuclear and tetranuclear copper(II) and trinuclear nickel(II) complexes.
• Authors of publication: Alcock, Nathaniel W.; Clarkson, Guy; Glover, Peter B.; Lawrance, Geoffrey A.; Moore, Peter; Napitupulu, Mery
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 3
• Pages of publication: 518 - 527
• a: 23.5075 ± 0.0007 Å
• b: 9.0184 ± 0.0003 Å
• c: 22.3163 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4731.1 ± 0.2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1093
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No