Information card for entry 4312710

Structure parameters

• Formula: C38 H28 O6 P2 Ru3 Se
• Calculated formula: C38 H28 O6 P2 Ru3 Se
• SMILES: [Ru]12345([Ru]678([Ru]1([H]58)([Se]27)([P]3(c1ccccc1)c1ccccc1)(C#[O])C#[O])([P](c1ccccc1)(c1ccccc1)Cc1ccccc1C46)(C#[O])C#[O])(C#[O])C#[O]
• Title of publication: Reactivity of Ph2P(Se)CH2C6H4CH2P(Se)Ph2 with [M3(CO)12] (M = Ru or Fe). Synthesis and Characterization of the New Carbene Cluster [Ru3(μ3-Se)(μ3-H)(μ2-PPh2)(CO)6(μ2-CHC6H4CH2PPh2)]
• Authors of publication: Daniele Belletti; Claudia Graiff; Chiara Massera; Alex Minarelli; Giovanni Predieri; Antonio Tiripicchio; Domenico Acquotti
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 8509 - 8518
• a: 15.212 ± 0.004 Å
• b: 12.963 ± 0.003 Å
• c: 18.904 ± 0.005 Å
• α: 90°
• β: 100.53 ± 0.03°
• γ: 90°
• Cell volume: 3665 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1019
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.0806
• Goodness-of-fit parameter for all reflections included in the refinement: 0.771
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No