Information card for entry 4317696

Structure parameters

• Formula: C27 H15 Co3 N O10 P Ru
• Calculated formula: C27 H15 Co3 N O10 P Ru
• SMILES: [Ru]123([H][Co]34567([Co]81([Co]27([n]1c([P]4(c2ccccc2)c2ccccc2)cccc1)(C8=O)(C#[O])C6=O)(C5=O)(C#[O])C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Reactivity of the Heterometallic Clusters [HMCo3(CO)12] and [Et4N][MCo3(CO)12] (M = Fe, Ru) toward Phosphine Selenides, Including Selenium Transfer. Crystal Structures of [HRuCo3(CO)7(μ-CO)3(μ-dppy)], [MCo2(μ3-Se)(CO)7(μ-dppy)], and [RuCo2(μ3-Se)(CO)7(μ-dppm)] [dppy = Ph2(2-C5H4N)P, dppm = Ph2PCH2PPh2]
• Authors of publication: Pierre Braunstein; Claudia Graiff; Chiara Massera; Giovanni Predieri; Jacky Rosé; Antonio Tiripicchio
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 1372 - 1382
• a: 12.459 ± 0.004 Å
• b: 11.083 ± 0.005 Å
• c: 22.472 ± 0.005 Å
• α: 90°
• β: 103.47 ± 0.06°
• γ: 90°
• Cell volume: 3018 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.154
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0538
• Weighted residual factors for all reflections included in the refinement: 0.0796
• Goodness-of-fit parameter for all reflections included in the refinement: 0.644
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No