Information card for entry 4072579

Structure parameters

• Formula: C70 H94 Cl2 O33 Os6 Si8
• Calculated formula: C70 H92 Cl2 O33 Os6 Si8
• SMILES: C1(CCCCC1)[Si@@]1([O]2[Os]3(C#[O])(C#[O])(C#[O])[Os]2([Os]3(C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])O[Si]2(C3CCCCC3)O[Si]3(O[Si@](O1)(O[Si@@]1(O[Si](O2)(O[Si](C2CCCCC2)(O[Si@@](C2CCCCC2)([O]2[Os]4(C#[O])(C#[O])(C#[O])[Os]2(C#[O])(C#[O])(C#[O])[Os]4(C#[O])(C#[O])(C#[O])C#[O])O1)O3)C1CCCCC1)C1CCCCC1)C1CCCCC1)C1CCCCC1.C(Cl)CCl.C1(CCCCC1)[Si@]1([O]2[Os]3(C#[O])(C#[O])(C#[O])[Os]2([Os]3(C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])O[Si]2(C3CCCCC3)O[Si]3(O[Si@@](O1)(O[Si@]1(O[Si](O2)(O[Si](C2CCCCC2)(O[Si@](C2CCCCC2)([O]2[Os]4(C#[O])(C#[O])(C#[O])[Os]2(C#[O])(C#[O])(C#[O])[Os]4(C#[O])(C#[O])(C#[O])C#[O])O1)O3)C1CCCCC1)C1CCCCC1)C1CCCCC1)C1CCCCC1.C(Cl)CCl
• Title of publication: Synthesis and Characterization of Osmium-Containing Silsesquioxanes: High-Yield Routes to {Os3(CO)10(μ-H)[(μ-O)Si7O10(c-C6H11)7]} and the New Clusters {Os3(CO)10(μ-H)[(μ-O)Si7O9(OH)2(c-C6H11)7]}, {[Os3(CO)10(μ-H)]2(μ-O)2Si7O9(OH)(c-C6H11)7}, {Os3(CO)10(μ-H)[(μ-O)Si8O11(OH)(c-C6H11)8]}, and {[Os3(CO)10(μ-H)]2(μ-O)2Si8O11(c-C6H11)8}
• Authors of publication: Lucenti, Elena; Feher, Frank J.; Ziller, Joseph W.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 1
• Pages of publication: 75
• a: 29.3568 ± 0.0018 Å
• b: 13.3023 ± 0.0008 Å
• c: 24.833 ± 0.0016 Å
• α: 90°
• β: 106.381 ± 0.001°
• γ: 90°
• Cell volume: 9304 ± 1 ų
• Cell temperature: 158 ± 2 K
• Ambient diffraction temperature: 158 ± 2 K
• Number of distinct elements: 6
• 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: 0.0907
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No