Information card for entry 7011458

Structure parameters

• Formula: C72 H108 Cl10 Fe4 N20 O17
• Calculated formula: C72 H108 Cl10 Fe4 N20 O17
• Title of publication: Synthesis and structural characterisation of the novel iron helicate [Fe2(μ-L)4(μ-Cl)2][FeCl4]2 and metalla-macrocycle [Fe2(μ-L)2(THF)4Cl2][FeCl4]2{L =N,N'-di(n-butylcarbamoyl)pyridine-2,6-dicarboxamide}
• Authors of publication: Hayley A. Burkill; Ramón Vilar; Andrew J. P. White; David J. Williams
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 6
• Pages of publication: 837 - 839
• a: 15.2292 ± 0.0014 Å
• b: 17.919 ± 0.002 Å
• c: 19.795 ± 0.002 Å
• α: 74.641 ± 0.01°
• β: 72.614 ± 0.007°
• γ: 86.625 ± 0.008°
• Cell volume: 4969.8 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1478
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for all reflections: 0.2019
• Weighted residual factors for significantly intense reflections: 0.153
• Goodness-of-fit parameter for all reflections: 1.026
• Goodness-of-fit parameter for significantly intense reflections: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No