Information card for entry 4076953

Structure parameters

• Formula: C45 H42 B Cl3 N2 O2 Os P2
• Calculated formula: C45 H42 B Cl3 N2 O2 Os P2
• SMILES: [Os]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)(Cl)(B(N2C(=[NH]1)C=CC=C2)OCC)C#[O].ClCCl
• 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: 10.4645 ± 0.0001 Å
• b: 12.0732 ± 0.0001 Å
• c: 17.3518 ± 0.0002 Å
• α: 97.124 ± 0.001°
• β: 93.237 ± 0.001°
• γ: 98.381 ± 0.001°
• Cell volume: 2145.86 ± 0.04 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0722
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No