Information card for entry 7117708

Structure parameters

• Formula: C67.63 H55.63 Fe3 N4 O0.63
• Calculated formula: C67.628 H55.628 Fe3 N4 O0.628
• Title of publication: Low-valent iron: an Fe(I) ate compound as a building block for a linear trinuclear Fe cluster
• Authors of publication: C. Lichtenberg; L. Viciu; M. Vogt; R. E. Rodriguez-Lugo; M. Adelhardt; J. Sutter; M. M. Khusniyarov; K. Meyer; B. de Bruin; E. Billd; H. Grutzmacher
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 13890
• a: 25.8932 ± 0.0004 Å
• b: 14.78371 ± 0.00018 Å
• c: 13.25563 ± 0.00018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5074.22 ± 0.12 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0634
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No