Information card for entry 7709216

Structure parameters

• Formula: C36 H61 N3 O12 Ru4
• Calculated formula: C36 H61 N3 O12 Ru4
• Title of publication: Synthesis, molecular structure and fluxional behavior of the elusive [HRu4(CO)12]3– carbonyl anion
• Authors of publication: Cesari, Cristiana; Bortoluzzi, Marco; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 12.9763 ± 0.0008 Å
• b: 19.4012 ± 0.0012 Å
• c: 18.037 ± 0.0011 Å
• α: 90°
• β: 97.884 ± 0.002°
• γ: 90°
• Cell volume: 4498 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0993
• Residual factor for significantly intense reflections: 0.0879
• Weighted residual factors for significantly intense reflections: 0.192
• Weighted residual factors for all reflections included in the refinement: 0.1983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No