Information card for entry 4060292

Structure parameters

• Formula: C22 H30 Cl Os P
• Calculated formula: C22 H30 Cl Os P
• SMILES: [Os]123456(Cl)([P](C(=C)C[CH]1=[CH]2c1ccccc1)(C(C)C)C(C)C)[cH]1[cH]3[cH]4[cH]5[cH]16
• Title of publication: Ene-Type Reactions between an α-Alkenylphosphine and Terminal Alkynes Promoted by Osmium-Cyclopentadienyl Fragments
• Authors of publication: Baya, Miguel; Buil, María L.; Esteruelas, Miguel A.; Oñate, Enrique
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 9
• Pages of publication: 2030 - 2038
• a: 12.3343 ± 0.001 Å
• b: 12.6118 ± 0.001 Å
• c: 13.4358 ± 0.0011 Å
• α: 90°
• β: 95.913 ± 0.002°
• γ: 90°
• Cell volume: 2078.9 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0576
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0365
• Weighted residual factors for all reflections included in the refinement: 0.0402
• Goodness-of-fit parameter for all reflections included in the refinement: 0.655
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No