Information card for entry 4076957

Structure parameters

• Formula: C50 H51 B F6 N3 O4 Os P2 Sb
• Calculated formula: C50 H51 B F6 N3 O4 Os P2 Sb
• SMILES: [Os]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)(B(O)Nc2[n]1cccc2)([N]#CC)C#[O].[Sb](F)(F)([F-])(F)(F)F.O=C(C)C.O=C(C)C
• 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: 12.6292 ± 0.0001 Å
• b: 13.774 ± 0.0001 Å
• c: 15.402 ± 0.0001 Å
• α: 80.715 ± 0.001°
• β: 77.679 ± 0.001°
• γ: 80.49 ± 0.001°
• Cell volume: 2559.37 ± 0.03 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 0.914
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No