Information card for entry 7707586

Structure parameters

• Formula: C14 H6 Cu N O12 Ru4
• Calculated formula: C14 H6 Cu N O12 Ru4
• SMILES: [Ru]12([Ru]3456([H]7[Ru]8913([H]1[Ru]3248([H]5[Cu]67913[N]#CC)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: One-pot atmospheric pressure synthesis of [H₃Ru₄(CO)₁₂]<sup/>.
• Authors of publication: Cesari, Cristiana; Bortoluzzi, Marco; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 27
• Pages of publication: 9610 - 9622
• a: 8.5369 ± 0.0003 Å
• b: 10.0317 ± 0.0004 Å
• c: 13.1229 ± 0.0005 Å
• α: 86.395 ± 0.001°
• β: 71.63 ± 0.001°
• γ: 85.367 ± 0.001°
• Cell volume: 1062.25 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0235
• Residual factor for significantly intense reflections: 0.017
• Weighted residual factors for significantly intense reflections: 0.0388
• Weighted residual factors for all reflections included in the refinement: 0.0399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.179
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No