Information card for entry 4071186

Structure parameters

• Formula: C18 H27 Br Os
• Calculated formula: C18 H27 Br Os
• SMILES: [Os]1234567(Br)([c]8([c]1([c]2([c]3([c]48C)C)C)C)C)[CH]1=[CH]5CC[CH]6=[CH]7CC1
• Title of publication: Synthesis and Protonation Studies of Cp*Os(dppe)H: Kinetic versus Thermodynamic Control
• Authors of publication: Dub, Pavel A.; Belkova, Natalia V.; Lyssenko, Konstantin A.; Silantyev, Gleb A.; Epstein, Lina M.; Shubina, Elena S.; Daran, Jean-Claude; Poli, Rinaldo
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 13
• Pages of publication: 3307
• a: 8.7839 ± 0.0003 Å
• b: 13.3233 ± 0.0004 Å
• c: 14.1332 ± 0.0005 Å
• α: 90°
• β: 97.17 ± 0.003°
• γ: 90°
• Cell volume: 1641.08 ± 0.1 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• 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: 0.0517
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.1239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No