Information card for entry 4077979

Structure parameters

• Formula: C18 H20 Fe2 Ge O4 Sn
• Calculated formula: C18 H20 Fe2 Ge O4 Sn
• SMILES: [Fe]12345([Sn]([Fe]6789([c]%10([cH]6[cH]7[cH]8[cH]9%10)[Ge]([c]61[cH]2[cH]3[cH]4[cH]56)(C)C)(C#[O])C#[O])(C)C)(C#[O])C#[O]
• Title of publication: Reactions of SnMe2-Bridged Bis(cyclopentadienes) with Iron Pentacarbonyl: Migration of the SnMe2Group
• Authors of publication: Zhu, Bolin; Li, Yuan; Chen, Yunfei; Shi, Wei
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 8
• Pages of publication: 3035
• a: 9.1782 ± 0.0019 Å
• b: 12.419 ± 0.003 Å
• c: 9.2376 ± 0.0019 Å
• α: 90°
• β: 93.203 ± 0.003°
• γ: 90°
• Cell volume: 1051.3 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.014
• Residual factor for significantly intense reflections: 0.0135
• Weighted residual factors for significantly intense reflections: 0.0302
• Weighted residual factors for all reflections included in the refinement: 0.0304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No