Information card for entry 7011819

Structure parameters

• Formula: C26 H13 Co5 Mo2 O14
• Calculated formula: C26 H13 Co5 Mo2 O14
• SMILES: [Co]1234([Co]5678([Co]9%10([Co]%11%12%13%14([Co]%15%16([Mo]%17%18%19%20%21%2215%11([Mo]15%11%23269%12%15([cH]2[cH]1[cH]5[cH]%11[cH]%232)([C]3%16%21C(=O)OC)[C]7%10%13%22)[cH]1[cH]%17[cH]%18[cH]%19[cH]%201)(C%14=O)(C#[O])C#[O])(C#[O])C#[O])(C8=O)(C#[O])C#[O])(C4=O)C#[O])(C#[O])C#[O]
• Title of publication: Alkyne scission in cobalt‒molybdenum clusters: synthesis and structures of hexa- and heptanuclear alkylidyne clusters with unusual architectures
• Authors of publication: Adams, Harry; Guio, Laurence V. Y.; Morris, Michael J.; Spey, Sharon E.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 14
• Pages of publication: 2907
• a: 17.768 ± 0.002 Å
• b: 17.468 ± 0.002 Å
• c: 29.337 ± 0.004 Å
• α: 90°
• β: 94.388 ± 0.003°
• γ: 90°
• Cell volume: 9078.7 ± 1.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.111
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0963
• Goodness-of-fit parameter for all reflections included in the refinement: 0.773
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No