Information card for entry 4072737

Structure parameters

• Formula: C32 H40 Br2 N2 Os2
• Calculated formula: C32 H40 Br2 N2 Os2
• SMILES: N1([Os]2345(Br)([c]6([c]2([c]3([c]4([c]56C)C)C)C)C)N([Os]23451(Br)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C)c1ccccc1)c1ccccc1
• 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: 17.9343 ± 0.0001 Å
• b: 19.0862 ± 0.0003 Å
• c: 8.9428 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3061.1 ± 0.06 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0484
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.0927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No