Information card for entry 4061405

Structure parameters

• Formula: C28 H22 Fe O3 Sn
• Calculated formula: C28 H22 Fe O3 Sn
• SMILES: [Sn]([CH]1=[CH]2[Fe]34([CH]2=[CH]3C4C=C1)(C#[O])(C#[O])C#[O])(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Two diatropic rearrangements in the irontricarbonyl complex of cycloheptatrienyl
• Authors of publication: Gridnev, Ilya D.; del Rosario, Mia Karenina C.
• Journal of publication: Organometallics
• Year of publication: 2005
• a: 6.824 ± 0.003 Å
• b: 29.68 ± 0.01 Å
• c: 12.193 ± 0.005 Å
• α: 90 ± 0.001°
• β: 103.03 ± 0.001°
• γ: 90 ± 0.001°
• Cell volume: 2406.2 ± 0.1 ų
• Cell temperature: 173.2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No