Information card for entry 4076745

Structure parameters

• Formula: C42 H34 B Cl I N O2 Os P2
• Calculated formula: C42 H34 B Cl I N O2 Os P2
• SMILES: [Os]1(I)([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)([n]2c(OB1Cl)cccc2)C#[O]
• Title of publication: Tethered Osmium Boryl Complexes from the Reaction of Os(BCl2)Cl(CO)(PPh3)2with 2-Hydroxypyridine
• Authors of publication: Rickard, Clifton E. F.; Roper, Warren R.; Williamson, Alex; Wright, L. James
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 8
• Pages of publication: 1714
• a: 10.0292 ± 0.0002 Å
• b: 16.2023 ± 0.0002 Å
• c: 11.6971 ± 0.0002 Å
• α: 90°
• β: 94.761 ± 0.001°
• γ: 90°
• Cell volume: 1894.17 ± 0.06 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 9
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0201
• Residual factor for significantly intense reflections: 0.0193
• Weighted residual factors for significantly intense reflections: 0.0513
• Weighted residual factors for all reflections included in the refinement: 0.0527
• Goodness-of-fit parameter for all reflections included in the refinement: 0.79
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No