Information card for entry 7038799

Structure parameters

• Formula: C50 H96 Br2 O2 Os P2
• Calculated formula: C50 H96 Br2 O2 Os P2
• SMILES: [Os]1(Br)(Br)([P]23CCCCCCCCCCCCCCCC[P]1(CCCCCCCCCCCCCCCC2)CCCCCCCCCCCCCCCC3)(C#[O])C#[O]
• 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: 16.9141 ± 0.0007 Å
• b: 16.9141 ± 0.0007 Å
• c: 19.2307 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5501.6 ± 0.5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 76
• Hermann-Mauguin space group symbol: P 41
• Hall space group symbol: P 4w
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No