Information card for entry 7009628

Structure parameters

• Formula: C22 H8 O9 Os3
• Calculated formula: C22 H8 O9 Os3
• SMILES: [Os]12([H][Os]3([Os]451(C#[O])(C#[O])(C#[O])[C]12=[C]24C(=CC=C1)c1ccccc1C352)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: A novel non-facial mode of azulene cluster co-ordination. Crystal and molecular structure of the dicarbenoid Os3(μ-H)2(CO)9(μ3-η1∶η1∶η1-C10H6)
• Authors of publication: Aime, Silvio; Arce, Alejandro J.; Giusti, Daniela; Gobetto, Roberto; Steed, Jonathan W.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 13
• Pages of publication: 2215
• a: 9.3325 ± 0.0013 Å
• b: 13.96 ± 0.002 Å
• c: 17.864 ± 0.003 Å
• α: 90°
• β: 103.771 ± 0.013°
• γ: 90°
• Cell volume: 2260.5 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.076
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.0887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No