Information card for entry 7011820

Structure parameters

• Formula: C26 H16 Co4 Mo2 O14
• Calculated formula: C26 H16 Co4 Mo2 O14
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Mo]16789%102345[Co]234(C#[O])(C#[O])C(=O)[Co]583(C#[O])(C#[O])[C]31(C(=O)OC)[Co]187(C#[O])(C#[O])C(=O)[Co]791(C#[O])(C#[O])[C]62(C(=O)OC)[Mo]1269%1045387[cH]3[cH]1[cH]2[cH]6[cH]93
• 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: 9.4754 ± 0.0019 Å
• b: 9.74 ± 0.002 Å
• c: 10.003 ± 0.002 Å
• α: 113.584 ± 0.004°
• β: 117.66 ± 0.004°
• γ: 94.207 ± 0.004°
• Cell volume: 710.2 ± 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: 0.0494
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1221
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No