Information card for entry 4318168

Structure parameters

• Formula: C24 H3 Co6 Cu3 O18
• Calculated formula: C24 H3 Co6 Cu3 O18
• SMILES: [Cu]123456[Cu]789([Cu]%10%11%12%131([C]1%142=[CH]2[Co]31([Co]4%142(C5=O)(C#[O])C#[O])(C#[O])(C#[O])C#[O])[C]129=[CH]3[Co]%101([Co]%1123(C%13=O)(C#[O])C#[O])(C%12=O)(C#[O])C#[O])[C]126=[CH]3[Co]71([Co]823(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: A Novel Copper Cobalt Inorganometallic Cluster. Synthesis, Structure and Bonding Analysis of Cu3{μ2-(CCHCo2(CO)6)}3
• Authors of publication: Andrés Vega; Víctor Calvo; Evgenia Spodine; Antonio Zárate; Víctor Fuenzalida; Jean-Yves Saillard
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 3389 - 3395
• a: 9.139 ± 0.003 Å
• b: 12.077 ± 0.007 Å
• c: 16.37 ± 0.006 Å
• α: 79.74 ± 0.04°
• β: 84.61 ± 0.03°
• γ: 78.38 ± 0.04°
• Cell volume: 1738.3 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1485
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for all reflections: 0.1859
• Weighted residual factors for significantly intense reflections: 0.143
• Goodness-of-fit parameter for all reflections: 0.992
• Goodness-of-fit parameter for significantly intense reflections: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No