Information card for entry 4063190

Structure parameters

• Formula: C61 H54 Cl3 Os P3
• Calculated formula: C61 H54 Cl3 Os P3
• SMILES: [Os]1234(Cl)([P](c5c(C)cccc5[CH]2=[CH]3c2c([P]1(c1ccccc1)c1ccccc1)c(C)ccc2)(c1ccccc1)c1ccccc1)[P](c1c(C)cccc1C4)(c1ccccc1)c1ccccc1.ClCCl
• Title of publication: Carbon-Carbon Double Bond Formation from Two o-Methyl Groups in Osmium Phosphine Complexes
• Authors of publication: Walter Baratta; Eberhardt Herdtweck; Paolo Martinuzzi; Pierluigi Rigo
• Journal of publication: Organometallics
• Year of publication: 2001
• Journal volume: 20
• Pages of publication: 305 - 308
• a: 12.781 ± 0.0001 Å
• b: 18.9967 ± 0.0002 Å
• c: 21.4222 ± 0.0002 Å
• α: 90°
• β: 90.375 ± 0.006°
• γ: 90°
• Cell volume: 5201.13 ± 0.08 ų
• Cell temperature: 163 ± 1 K
• Ambient diffraction temperature: 163 ± 1 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: 0.0279
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for all reflections: 0.0671
• Weighted residual factors for all reflections included in the refinement: 0.0658
• Goodness-of-fit parameter for all reflections: 1.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No