Information card for entry 7011822

Structure parameters

• Formula: C15 H8 Co2 Mo O8
• Calculated formula: C15 H8 Co2 Mo O8
• SMILES: [Mo]123456([Co]7([Co]1(C#[O])(C#[O])(C#[O])C27C)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])[cH]1[cH]3[cH]4[cH]5[cH]61
• 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: 7.9482 ± 0.0016 Å
• b: 8.1591 ± 0.0017 Å
• c: 14.264 ± 0.003 Å
• α: 102.893 ± 0.004°
• β: 92.936 ± 0.004°
• γ: 108.181 ± 0.004°
• Cell volume: 849.4 ± 0.3 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: 0.067
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1079
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No