Information card for entry 2008542

Structure parameters

• Formula: C28 H37.5 Cu F12 N6.5 P2
• Calculated formula: C28 H27.988 Cu F12 N6.5 P2
• Title of publication: Tris(2-pyridylmethyl)triazacyclododecane complexes of Fe^II^ and Cu^II^
• Authors of publication: Alcock, Nathaniel W.; Zhang, Delong; Busch, Daryle H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 6
• Pages of publication: 886 - 889
• a: 24.309 ± 0.005 Å
• b: 13.543 ± 0.003 Å
• c: 41.392 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13627 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.124
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.179
• Goodness-of-fit parameter for all reflections included in the refinement: 0.842
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes