Information card for entry 4072735

Structure parameters

• Formula: C20 H30 Br4 Os2
• Calculated formula: C20 H30 Br4 Os2
• SMILES: [c]12([c]3([c]4([c]5([c]1([Os]12345([Br][Os]2345([c]6([c]2([c]3([c]4([c]56C)C)C)C)C)([Br]1)Br)Br)C)C)C)C)C
• 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: 9.6643 ± 0.0005 Å
• b: 13.8792 ± 0.0007 Å
• c: 9.9442 ± 0.0005 Å
• α: 90°
• β: 117.208 ± 0.001°
• γ: 90°
• Cell volume: 1186.26 ± 0.1 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 4
• 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: 0.0939
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No