Information card for entry 7023366

Structure parameters

• Common name: [(LH)2Fe2Cl2](MeCN)2
• Formula: C86 H66 Cl2 Fe2 N10 O6
• Calculated formula: C86 H66 Cl2 Fe2 N10 O6
• Title of publication: Programmed multiple complexation for the creation of helical structures from acyclic phenol-bipyridine oligomer ligands.
• Authors of publication: Akine, Shigehisa; Nagumo, Hiroki; Nabeshima, Tatsuya
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 45
• Pages of publication: 15974 - 15986
• a: 9.8836 ± 0.0007 Å
• b: 12.5381 ± 0.0007 Å
• c: 16.4708 ± 0.0009 Å
• α: 66.538 ± 0.0017°
• β: 70.356 ± 0.003°
• γ: 82.489 ± 0.002°
• Cell volume: 1763.36 ± 0.19 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.1037
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No