Information card for entry 4077325

Structure parameters

• Formula: C25 H17 O10 Os3 P S
• Calculated formula: C25 H17 O10 Os3 P S
• SMILES: [Os]12([Os]([Os]1([S](C)CC[P]2(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Synthesis and Characterization of Triosmium Clusters Containing the Bidentate Ligand Ph2PCH2CH2SMe: Detection of an Isomerization Reaction Involving Bridging and Chelating Ligand Coordination Modes
• Authors of publication: Persson, Roger; Monari, Magda; Gobetto, Roberto; Russo, Andrea; Aime, Silvio; Calhorda, Maria José; Nordlander, Ebbe
• Journal of publication: Organometallics
• Year of publication: 2001
• Journal volume: 20
• Journal issue: 20
• Pages of publication: 4150
• a: 11.415 ± 0.007 Å
• b: 11.413 ± 0.003 Å
• c: 11.94 ± 0.005 Å
• α: 93.02 ± 0.03°
• β: 95.65 ± 0.04°
• γ: 111.47 ± 0.04°
• Cell volume: 1433.9 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1016
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for all reflections: 0.1606
• Weighted residual factors for significantly intense reflections: 0.1378
• Goodness-of-fit parameter for all reflections: 1.027
• Goodness-of-fit parameter for significantly intense reflections: 1.147
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No