Information card for entry 7034203

Structure parameters

• Formula: C18 H6 Cu2 N2 O14 Ru5 Te
• Calculated formula: C18 H6 Cu2 N2 O14 Ru5 Te
• SMILES: C1(=O)[Ru]23456(C#[O])C(=O)[Cu]72([N]#CC)[Ru]289%103(C#[O])(C(=O)[Cu]3%112(C(=O)[Ru]2%12%1383(C#[O])C(=O)[Ru]142(C#[O])(C#[O])([Ru]579%11%12(C#[O])(C#[O])C#[O])[Te]6%10%13)[N]#CC)C#[O]
• Title of publication: Copper-incorporated mono- and di-TeRu5 metal carbonyl complexes: syntheses, structures, and an unusual skeletal arrangement.
• Authors of publication: Shieh, Minghuey; Miu, Chia-Yeh; Hsing, Kai-Jieah; Jang, Li-Fing; Lin, Chien-Nan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 14
• Pages of publication: 6526 - 6536
• a: 15.2231 ± 0.0003 Å
• b: 10.4337 ± 0.0002 Å
• c: 19.5749 ± 0.0005 Å
• α: 90°
• β: 107.974 ± 0.001°
• γ: 90°
• Cell volume: 2957.41 ± 0.11 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0211
• Residual factor for significantly intense reflections: 0.0175
• Weighted residual factors for significantly intense reflections: 0.0373
• Weighted residual factors for all reflections included in the refinement: 0.0389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No