Information card for entry 4071404

Structure parameters

• Formula: C18 H28 Cl3 N Os2
• Calculated formula: C18 H28 Cl3 N Os2
• SMILES: [Os]12345([Cl][Os]678([H]1)([Cl]2)([N]#CC)[CH]1=[CH]7CC[CH]8=[CH]6CC1)(Cl)[CH]1=[CH]4CC[CH]5=[CH]3CC1
• Title of publication: [H(EtOH)2][{OsCl(η4-COD)}2(μ-H)(μ-Cl)2] as an Intermediate for the Preparation of [OsCl2(COD)]xand Its Activity as an Ionic Hydrogenation and Etherification Catalyst
• Authors of publication: Esteruelas, Miguel A.; García-Yebra, Cristina; Oñate, Enrique
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 13
• Pages of publication: 3029
• a: 15.4555 ± 0.0011 Å
• b: 9.2944 ± 0.0007 Å
• c: 13.939 ± 0.001 Å
• α: 90°
• β: 100.518 ± 0.001°
• γ: 90°
• Cell volume: 1968.7 ± 0.2 ų
• Cell temperature: 105 ± 0.2 K
• Ambient diffraction temperature: 105 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0764
• Weighted residual factors for all reflections included in the refinement: 0.0796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No