Information card for entry 4077358

Structure parameters

• Formula: C12 F2 O12 P2 Ru4
• Calculated formula: C12 F2 O12 P2 Ru4
• SMILES: [Ru]123([Ru]4([Ru]5([Ru]1([P]345)(C#[O])(C#[O])C#[O])([P]2(F)F)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Synthesis, Structural, and Theoretical Analysis of Ru4(CO)12(μ-PF2)(μ4-P): Is the μ4-P Atom a Three-Electron or a Five-Electron Donor?
• Authors of publication: Kahlal, Samia; Wang, Weibin; Scoles, Ludmila; Udachin, Konstantin A.; Saillard, Jean-Yves; Carty, Arthur J.
• Journal of publication: Organometallics
• Year of publication: 2001
• Journal volume: 20
• Journal issue: 22
• Pages of publication: 4469
• a: 7.0669 ± 0.0005 Å
• b: 15.8404 ± 0.001 Å
• c: 9.7152 ± 0.0006 Å
• α: 90°
• β: 100.581 ± 0.001°
• γ: 90°
• Cell volume: 1069.05 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1196
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No