Information card for entry 7009012

Structure parameters

• Formula: C17 H21 Fe N2 O4
• Calculated formula: C17 H21 Fe N2 O4
• Title of publication: A new bis(μ-alkoxo) diiron(III) complex and its implications regarding the number of Fe(III)‒phenolate bonds and the redox potential in uteroferrin
• Authors of publication: Neves, Ademir; Rossi, Liane M.; Vencato, Ivo; Haase, Wolfgang; Werner, Rüdiger
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 5
• Pages of publication: 707
• a: 9.653 ± 0.002 Å
• b: 9.754 ± 0.002 Å
• c: 9.848 ± 0.002 Å
• α: 89.02 ± 0.03°
• β: 80.92 ± 0.03°
• γ: 66.11 ± 0.03°
• Cell volume: 836.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1065
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No