Information card for entry 4333041

Structure parameters

• Formula: C75 H75 Cl0.6 Fe9 N3.4 O19.6
• Calculated formula: C75 H75 Cl0.6 Fe9 N3.4 O19.6
• Title of publication: A New Hexaferrocene Complex with a [M3(μ3-O)]7+Core
• Authors of publication: Mereacre, Valeriu; Nakano, Motohiro; Gómez-Segura, Jordi; Imaz, Inhar; Sporer, Christian; Wurst, Klaus; Veciana, Jaume; Turta, Constantin; Ruiz-Molina, Daniel; Jaitner, Peter
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 26
• Pages of publication: 10443 - 10445
• a: 27.6803 ± 0.0003 Å
• b: 16.4134 ± 0.0003 Å
• c: 21.0446 ± 0.0004 Å
• α: 90°
• β: 122.801 ± 0.002°
• γ: 90°
• Cell volume: 8036.7 ± 0.3 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0675
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.1374
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No