Information card for entry 4336164

Structure parameters

• Formula: C42 H34 Fe N10
• Calculated formula: C42 H34 Fe N10
• Title of publication: Probing the Electronic Properties of a Trinuclear Molecular Wire Involving Isocyanoferrocene and Iron(II) Phthalocyanine Motifs
• Authors of publication: Victor N. Nemykin; Anatolii A. Purchel; Andrew D. Spaeth; Mikhail V. Barybin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 11004 - 11012
• a: 17.794 ± 0.0008 Å
• b: 12.1974 ± 0.0005 Å
• c: 18.4241 ± 0.0012 Å
• α: 90°
• β: 115.624 ± 0.008°
• γ: 90°
• Cell volume: 3605.5 ± 0.4 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0755
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for all reflections: 0.1192
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1192
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No