Information card for entry 7007961

Structure parameters

• Formula: C56 H55 Cu4 N12 O20
• Calculated formula: C56 H46 Cu4 N12 O20
• 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: 20.9193 ± 0.0006 Å
• b: 22.0981 ± 0.0007 Å
• c: 13.0496 ± 0.0004 Å
• α: 90°
• β: 99.438 ± 0.001°
• γ: 90°
• Cell volume: 5950.9 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1031
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1328
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No