Information card for entry 7050987

Structure parameters

• Formula: C43 H36 Co2 O4 P2
• Calculated formula: C43 H36 Co2 O4 P2
• SMILES: [Co]123([Co]4([P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])[C]2(C1=CCCC1)=[C]34C#CC1=CCCC1)(C#[O])C#[O]
• Title of publication: Double Dehydration of a Diyne Diol Promoted by a Single Co2(CO)6 Unit; Activation of an uncoordinated propargylic centre.
• Authors of publication: Mays, Martin J.; Golovko, Vladimir B.; Woods, Anthony D.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2002
• a: 12.2764 ± 0.0004 Å
• b: 15.3093 ± 0.0006 Å
• c: 21.7463 ± 0.0008 Å
• α: 104.381 ± 0.002°
• β: 90.547 ± 0.002°
• γ: 106.997 ± 0.002°
• Cell volume: 3771.2 ± 0.2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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