Information card for entry 7049051

Structure parameters

• Formula: C63 H54 Fe6 Ge6 O12
• Calculated formula: C63 H54 Fe6 Ge6 O12
• Title of publication: On the reaction of GeCl2·Dioxane with KFeCp(CO)2: Isolation and characterization of novel bimetallic clusters
• Authors of publication: Schnepf, Andreas; Schrenk, Claudio; Preißing, Lars
• Journal of publication: Dalton Transactions
• Year of publication: 2019
• a: 31.133 ± 0.002 Å
• b: 11.6457 ± 0.0008 Å
• c: 19.5361 ± 0.0015 Å
• α: 90°
• β: 111.225 ± 0.001°
• γ: 90°
• Cell volume: 6602.6 ± 0.8 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150.1 K
• Number of distinct elements: 5
• 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: 0.0769
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No