Information card for entry 7007964

Structure parameters

• Formula: C19 H15 N5 Ni O2
• Calculated formula: C19 H15 N5 Ni O2
• SMILES: [Ni]123[n]4ccccc4CN1C(=O)c1[n]2c(ccc1)C(=O)N3Cc1ncccc1
• 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: 7.1769 ± 0.0004 Å
• b: 21.8946 ± 0.0013 Å
• c: 10.2138 ± 0.0006 Å
• α: 90°
• β: 90.029 ± 0.001°
• γ: 90°
• Cell volume: 1604.95 ± 0.16 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0909
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.0811
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No