Information card for entry 7038801

Structure parameters

• Formula: C45 H84 O3 Os P2
• Calculated formula: C45 H84 O3 Os P2
• SMILES: C(#[O])[Os]1([P]23CCCCCCCCCCCCCC[P]1(CCCCCCCCCCCCCC3)CCCCCCCCCCCCCC2)(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: 21.6848 ± 0.0005 Å
• b: 14.0336 ± 0.0002 Å
• c: 18.2091 ± 0.0004 Å
• α: 90°
• β: 122.109 ± 0.001°
• γ: 90°
• Cell volume: 4693.71 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0213
• Residual factor for significantly intense reflections: 0.0197
• Weighted residual factors for significantly intense reflections: 0.0474
• Weighted residual factors for all reflections included in the refinement: 0.0481
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No