Information card for entry 4072736

Structure parameters

• Formula: C20 H30 Br4 O Os2
• Calculated formula: C20 H30 Br4 O Os2
• SMILES: O([Os]1234([c]5([c]4([c]3([c]2([c]15C)C)C)C)C)(Br)Br)[Os]1234([c]5([c]4([c]3([c]2([c]15C)C)C)C)C)(Br)Br
• Title of publication: Synthesis and Reactivity of the Osmium(III) Pentamethylcyclopentadienyl Complex (C5Me5)2Os2Br4. X-ray Crystal Structures of (C5Me5)2Os2Br4, (C5Me5)2Os2(μ-O)Br4, and (C5Me5)2Os2(μ-NPh)2Br2
• Authors of publication: Gross, Christopher L.; Brumaghim, Julia L.; Girolami, Gregory S.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 9
• Pages of publication: 2258
• a: 8.5196 ± 0.0004 Å
• b: 13.7702 ± 0.0006 Å
• c: 10.8259 ± 0.0005 Å
• α: 90°
• β: 93.934 ± 0.001°
• γ: 90°
• Cell volume: 1267.07 ± 0.1 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0999
• Residual factor for significantly intense reflections: 0.0748
• Weighted residual factors for significantly intense reflections: 0.1902
• Weighted residual factors for all reflections included in the refinement: 0.2084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No