Information card for entry 4076955

Structure parameters

• Formula: C42 H36 B Cl N2 O Os P2
• Calculated formula: C42 H36 B Cl N2 O Os P2
• SMILES: [OsH]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)(B(Cl)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: 12.657 ± 0.0002 Å
• b: 13.7582 ± 0.0001 Å
• c: 22.0517 ± 0.0001 Å
• α: 90°
• β: 105.297 ± 0.001°
• γ: 90°
• Cell volume: 3703.98 ± 0.07 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0255
• Residual factor for significantly intense reflections: 0.0213
• Weighted residual factors for significantly intense reflections: 0.0496
• Weighted residual factors for all reflections included in the refinement: 0.0517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No