Information card for entry 2008541

Structure parameters

• Formula: C27 H36 Cl4 Fe2 N6
• Calculated formula: C27 H36 Cl4 Fe2 N6
• 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: 18.793 ± 0.002 Å
• b: 18.793 ± 0.002 Å
• c: 18.793 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6637.3 ± 1.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.088
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for all reflections: 0.173
• Weighted residual factors for significantly intense reflections: 0.157
• Goodness-of-fit parameter for all reflections: 1.094
• Goodness-of-fit parameter for significantly intense reflections: 1.165
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes