Information card for entry 4077516

Structure parameters

• Formula: C54 H59 Cl Os P2
• Calculated formula: C54 H59 Cl Os P2
• SMILES: [Os]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)(=C=CC(C)(C)C)/C(=C/C(C)(C)C)C#CC(C)(C)C
• Title of publication: Unexpected Formation of Osmium Carbyne and Vinylidene Complexes from the Reaction of OsCl2(PPh3)3with HC⋮CCMe3
• Authors of publication: Wen, Ting Bin; Yang, Sheng-Yong; Zhou, Zhong Yuan; Lin, Zhenyang; Lau, Chak-Po; Jia, Guochen
• Journal of publication: Organometallics
• Year of publication: 2000
• Journal volume: 19
• Journal issue: 19
• Pages of publication: 3757
• a: 12.3785 ± 0.0013 Å
• b: 13.8032 ± 0.0014 Å
• c: 17.2639 ± 0.0017 Å
• α: 78.28 ± 0.002°
• β: 70.488 ± 0.002°
• γ: 65.374 ± 0.002°
• Cell volume: 2520.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0676
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1163
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No