Information card for entry 4020763

Structure parameters

• Formula: C20 H10 Co2 Cr O11
• Calculated formula: C20 H10 Co2 Cr O11
• SMILES: [Co]12([Co]3([C]1([c]14[c]5([Cr]6781(C#[O])([cH]4[cH]7[cH]8[cH]56)(C#[O])C#[O])C1OCCO1)=[CH]23)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Arene-Chromium Tricarbonyl Complexes in the Pauson-Khand Reaction
• Authors of publication: Marta Rosillo; Gema Domínguez; Luis Casarrubios; Javier Pérez-Castells
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 10611 - 10614
• a: 7.1979 ± 0.001 Å
• b: 9.1954 ± 0.001 Å
• c: 17.7887 ± 0.001 Å
• α: 98.044 ± 0.01°
• β: 101.57 ± 0.01°
• γ: 98.183 ± 0.01°
• Cell volume: 1124.4 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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