Information card for entry 7011823

Structure parameters

• Formula: C17 H10 Co2 Mo O10
• Calculated formula: C17 H10 Co2 Mo O10
• SMILES: [Co]12([Co]3([Mo]45671(C#[O])(C#[O])([cH]1[cH]7[cH]6[cH]5[cH]41)C23CC(=O)OC)(C#[O])(C#[O])C#[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: 7.9324 ± 0.0005 Å
• b: 9.0316 ± 0.0005 Å
• c: 15.5819 ± 0.0009 Å
• α: 96.535 ± 0.001°
• β: 96.706 ± 0.001°
• γ: 115.999 ± 0.001°
• Cell volume: 979.32 ± 0.1 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: 0.0345
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.0919
• Goodness-of-fit parameter for all reflections included in the refinement: 0.897
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No