Information card for entry 4333020

Structure parameters

• Formula: C37 H66 Cl3 N Os2
• Calculated formula: C37 H66 Cl3 N Os2
• SMILES: [Os]123456([Os]789([H]1)([Cl]2)([Cl]3)(Cl)[CH]1=[CH]7CC[CH]8=[CH]9CC1)(C1=CC=CC1)[CH]1=[CH]4CC[CH]5=[CH]6CC1.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: Preparation and Characterization of Novel Os−Diolefin Dimers: New Entry to Os−Cyclooctadiene Complexes
• Authors of publication: Esteruelas, Miguel A.; García-Yebra, Cristina; Oliván, Montserrat; Oñate, Enrique
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 25
• Pages of publication: 10162 - 10171
• a: 17.941 ± 0.003 Å
• b: 12.671 ± 0.002 Å
• c: 16.64 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3782.8 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0471
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0434
• Weighted residual factors for all reflections included in the refinement: 0.0457
• Goodness-of-fit parameter for all reflections included in the refinement: 0.816
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No