Information card for entry 4077326

Structure parameters

• Formula: C25 H17 O10 Os3 P S
• Calculated formula: C25 H17 O10 Os3 P S
• SMILES: [Os]1([Os]2([Os]1(C#[O])(C#[O])(C#[O])C#[O])([S](CC[P]2(c1ccccc1)c1ccccc1)C)(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: 8.661 ± 0.006 Å
• b: 16.427 ± 0.009 Å
• c: 11.028 ± 0.008 Å
• α: 90°
• β: 111.96 ± 0.05°
• γ: 90°
• Cell volume: 1455.2 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0421
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for all reflections: 0.0938
• Weighted residual factors for significantly intense reflections: 0.0904
• Goodness-of-fit parameter for all reflections: 1.055
• Goodness-of-fit parameter for significantly intense reflections: 1.08
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No