Information card for entry 4073916

Structure parameters

• Formula: C30 H38 B F4 Os P
• Calculated formula: C30 H38 B F4 Os P
• SMILES: [B](F)(F)(F)[F-].[Os]123456([P](C(C)C)(C(C)C)C(C)C)([C](=Cc7ccccc7)=[CH]1C=2c1ccccc1)[cH]1[cH]6[cH]5[cH]4[cH]31
• Title of publication: Preparation and Characterization of a Monocyclopentadienyl Osmium−Allenylcarbene Complex
• Authors of publication: Esteruelas, Miguel A.; Hernández, Yohar A.; López, Ana M.; Oñate, Enrique
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 24
• Pages of publication: 6009
• a: 10.2901 ± 0.0015 Å
• b: 17.239 ± 0.003 Å
• c: 15.961 ± 0.002 Å
• α: 90°
• β: 98.652 ± 0.003°
• γ: 90°
• Cell volume: 2799.1 ± 0.7 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 6
• 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: 0.091
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.161
• Weighted residual factors for all reflections included in the refinement: 0.171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No