Information card for entry 4312712

Structure parameters

• Formula: C39 H28 Fe3 O7 P2 Se2
• Calculated formula: C39 H28 Fe3 O7 P2 Se2
• SMILES: [Fe]123([Fe]45([Fe]([Se]14)([Se]25)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])([P](Cc1ccccc1C[P]3(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)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: 11.451 ± 0.004 Å
• b: 18.732 ± 0.005 Å
• c: 18.798 ± 0.005 Å
• α: 90°
• β: 102.53 ± 0.005°
• γ: 90°
• Cell volume: 3936 ± 2 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: 0.0836
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No