Information card for entry 4061041

Structure parameters

• Formula: C52 H36 Fe2 O18 Ru6 S2 Si2
• Calculated formula: C52 H36 Fe2 O18 Ru6 S2 Si2
• SMILES: [Fe]12345678([c]9([cH]4[cH]3[cH]2[cH]19)C#C[S]1[Ru]23([Ru]4([Ru]91([C]24=[C]39[Si](C)(C)C)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: Unexpected behavior of the novel organometallic thioether C~5~H~5~FeC~5~H~6~C=CSC=CSiMe~3~ towards Ru~3~(CO)~12~.
• Authors of publication: B. Alonzo, C. Castejon, E. Delgado, E. Hernandez; B. Donnadieu
• Journal of publication: Organometallics
• Year of publication: 2004
• a: 19.6865 ± 0.0012 Å
• b: 9.5647 ± 0.0008 Å
• c: 32.649 ± 0.002 Å
• α: 90°
• β: 93.505 ± 0.008°
• γ: 90°
• Cell volume: 6136.2 ± 0.8 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No