Information card for entry 4076956

Structure parameters

• Formula: C42 H36 B Cl N2 O2 Os P2
• Calculated formula: C42 H36 B Cl N2 O2 Os P2
• SMILES: [Os]1(Cl)([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)(B(O)Nc2[n]1cccc2)C#[O]
• Title of publication: Tethered Boryl and Base-Stabilized Borylene Osmium Complexes from the Reaction of Os(BCl2)Cl(CO)(PPh3)2with 2-Aminopyridine
• 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: 22
• Pages of publication: 4862
• a: 10.334 ± 0.0001 Å
• b: 27.6187 ± 0.0003 Å
• c: 12.9728 ± 0.0002 Å
• α: 90°
• β: 96.9 ± 0.001°
• γ: 90°
• Cell volume: 3675.77 ± 0.08 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 8
• 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: 0.0299
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0508
• Weighted residual factors for all reflections included in the refinement: 0.0523
• Goodness-of-fit parameter for all reflections included in the refinement: 1.171
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No