Information card for entry 7117710

Structure parameters

• Formula: C44 H44
• Calculated formula: C44 H44
• SMILES: C1=CC(=C(c2ccccc2)c2ccccc2)C=CC1C(c1ccccc1)(c1ccccc1)c1ccccc1.C(CCCC)C
• 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: 10.4488 ± 0.0004 Å
• b: 12.4887 ± 0.0006 Å
• c: 13.5525 ± 0.0006 Å
• α: 71.996 ± 0.004°
• β: 79.884 ± 0.003°
• γ: 82.754 ± 0.004°
• Cell volume: 1650.87 ± 0.13 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0972
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1174
• Weighted residual factors for all reflections included in the refinement: 0.1356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No