Information card for entry 4068077

Structure parameters

• Formula: C55 H50 B F24 Os P
• Calculated formula: C55 H50 B F24 Os P
• SMILES: [OsH]1234567([P](C(=C)C[C]2(C1)=[CH]3C1CCCCC1)(C(C)C)C(C)C)[cH]1[cH]7[cH]6[cH]5[cH]41.FC(F)(F)c1cc([B-](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(c1)C(F)(F)F
• Title of publication: Formation of Osmium-Allylphosphinomethanide Complexes by Coupling of an Isopropenyldiisopropylphosphine and Monosubstituted Allenes
• Authors of publication: Esteruelas, Miguel A.; López, Ana M.; Mozo, Silvia; Oñate, Enrique
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 1
• Pages of publication: 440
• a: 19.3084 ± 0.0017 Å
• b: 16.0356 ± 0.0014 Å
• c: 19.7029 ± 0.0017 Å
• α: 90°
• β: 116.683 ± 0.001°
• γ: 90°
• Cell volume: 5450.8 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0629
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No