Information card for entry 4062107

Structure parameters

• Formula: C52 H44 Fe4 O28 P2 Re4 Se4
• Calculated formula: C52 H44 Fe4 O28 P2 Re4 Se4
• SMILES: C([Re]1(C#[O])(C#[O])(C#[O])[P](C2CCCCC2)(C2CCCCC2)[Re](C#[O])([Se]21[Fe]1(C#[O])(C#[O])(C#[O])[Se]([Fe]21(C#[O])(C#[O])C#[O])[Se]1[Fe]2(C#[O])(C#[O])(C#[O])[Fe]1(C#[O])(C#[O])(C#[O])[Se]12[Re](C#[O])(C#[O])(C#[O])(C#[O])[P](C2CCCCC2)(C2CCCCC2)[Re]1(C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])#[O]
• Title of publication: Chalcogen centered spirocyclic mixed metal carbonyl complexes: Synthesis and molecular structures of (CO)~8~(μ-PCy~2~)Re~2~(μ~4~-E)Fe~2~(μ-ER)(CO)~6~ and ((CO)~8~(μ-PCy~2~)Re~2~(μ~4~-E)Fe~2~(CO)~6~)~2~(μ~4~-E~2~) (E = S, Se, Te; R = org. residue)
• Authors of publication: Klose, Stefanie; Flörke, Ulrich; Mathur, Pradeep; Egold, Hans
• Journal of publication: Organometallics
• Year of publication: 2003
• a: 9.3334 ± 0.0007 Å
• b: 11.9734 ± 0.0009 Å
• c: 17.0212 ± 0.0013 Å
• α: 69.958 ± 0.002°
• β: 79.061 ± 0.001°
• γ: 77.534 ± 0.001°
• Cell volume: 1730.9 ± 0.2 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No