Information card for entry 7003628

Structure parameters

• Formula: C17 H12 Co3 O8 P
• Calculated formula: C17 H12 Co3 O8 P
• SMILES: [Co]12([Co]3([Co]1([P](c1ccccc1)(C)C)(C23)(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Chiral and achiral phosphine derivatives of alkylidyne tricobalt carbonyl clusters as catalyst precursors for (asymmetric) inter- and intramolecular Pauson‒Khand reactions
• Authors of publication: Moberg, Viktor; Mottalib, M. Abdul; Sauer, Désirée; Poplavskaya, Yulia; Craig, Donald C.; Colbran, Stephen B.; Deeming, Antony J.; Nordlander, Ebbe
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 18
• Pages of publication: 2442 - 2453
• a: 8.7435 ± 0.0007 Å
• b: 14.8061 ± 0.0012 Å
• c: 9.0608 ± 0.0008 Å
• α: 90°
• β: 116.107 ± 0.001°
• γ: 90°
• Cell volume: 1053.31 ± 0.15 ų
• Cell temperature: 566 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0294
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0696
• Weighted residual factors for all reflections included in the refinement: 0.0709
• Goodness-of-fit parameter for all reflections included in the refinement: 0.872
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No