Information card for entry 7038804

Structure parameters

• Formula: C56 H94 O2 Os P2
• Calculated formula: C56 H94 O2 Os P2
• SMILES: [Os]1([P]23CCCCCCCCCCCCCC[P]1(CCCCCCCCCCCCCC2)CCCCCCCCCCCCCC3)(C#[O])(C#[O])(c1ccccc1)c1ccccc1
• Title of publication: Gyroscope like molecules consisting of trigonal or square planar osmium rotators within three-spoked dibridgehead diphosphine stators: syntheses, substitution reactions, structures, and dynamic properties.
• Authors of publication: Fiedler, Tobias; Bhuvanesh, Nattamai; Hampel, Frank; Reibenspies, Joseph H.; Gladysz, John A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 16
• Pages of publication: 7131 - 7147
• a: 15.622 ± 0.003 Å
• b: 18.229 ± 0.003 Å
• c: 18.907 ± 0.003 Å
• α: 90°
• β: 97.607 ± 0.002°
• γ: 90°
• Cell volume: 5336.8 ± 1.6 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• 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: 0.0959
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.1778
• Weighted residual factors for all reflections included in the refinement: 0.2262
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No