Information card for entry 4312708

Structure parameters

• Formula: C42 H32 O12 P2 Ru3
• Calculated formula: C42 H28 O12 P2 Ru3
• SMILES: [Ru]12([Ru]([Ru]1(C#[O])(C#[O])(C#[O])C#[O])([P](Cc1c(C[P]2(c2ccccc2)c2ccccc2)cccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O].O.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: 46.185 ± 0.005 Å
• b: 9.993 ± 0.005 Å
• c: 22.311 ± 0.003 Å
• α: 90°
• β: 118.26 ± 0.02°
• γ: 90°
• Cell volume: 9070 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1255
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1192
• Weighted residual factors for all reflections included in the refinement: 0.1431
• Goodness-of-fit parameter for all reflections included in the refinement: 0.871
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No