Information card for entry 7011821

Structure parameters

• Formula: C24 H11 Co5 Mo2 O12
• Calculated formula: C24 H11 Co5 Mo2 O12
• SMILES: [Mo]123456789%10([Mo]%11%12%13%14%15%16%17%18%19%20([Co]%21%221([Co]1%232%11([Co]2%11%12([Co]%123%13([Co]4%14([CH]9%19%21)(C%12=O)(C#[O])C#[O])([C]%10%2012)(C%11=O)C#[O])(C%23=O)(C#[O])C#[O])(C%22=O)C#[O])(C#[O])C#[O])[cH]1[cH]%15[cH]%16[cH]%17[cH]%181)[cH]1[cH]8[cH]7[cH]6[cH]51
• 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: 10.6072 ± 0.001 Å
• b: 16.1964 ± 0.0016 Å
• c: 16.4925 ± 0.0016 Å
• α: 99.395 ± 0.002°
• β: 92.574 ± 0.002°
• γ: 92.924 ± 0.002°
• Cell volume: 2787.7 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0635
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.0749
• Goodness-of-fit parameter for all reflections included in the refinement: 0.917
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No