Information card for entry 7011696

Structure parameters

• Formula: C45 H32 Cl2 O8 P2 Ru3 Se
• Calculated formula: C45 H30 Cl2 O8 P2 Ru3 Se
• SMILES: [C]12(=O)[Ru]34(C#[O])(C#[O])([P](c5ccccc5)(c5ccccc5)c5ccccc5)[Se]5[Ru]13(C#[O])(C#[O])([P](c1ccccc1)(c1ccccc1)c1ccccc1)[Ru]245(C#[O])(C#[O])C#[O].ClCCl
• Title of publication: Stepwise selenium transfer from tertiary phosphine selenides to [Ru3(CO)12]. Structural characterization of the primary product [Ru3(??3-Se)(??3-CO)(CO)7(PPh3)2]
• Authors of publication: Belletti, Daniele; Cauzzi, Daniele; Graiff, Claudia; Minarelli, Alex; Pattacini, Roberto; Predieri, Giovanni; Tiripicchio, Antonio
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 16
• Pages of publication: 3160
• a: 11.614 ± 0.004 Å
• b: 20.341 ± 0.005 Å
• c: 10.685 ± 0.003 Å
• α: 86.91 ± 0.03°
• β: 66.61 ± 0.02°
• γ: 88.75 ± 0.03°
• Cell volume: 2313.4 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0702
• Weighted residual factors for all reflections included in the refinement: 0.0778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No