Information card for entry 4114236

Structure parameters

• Common name: JDS-IV-17
• Chemical name: JDS-IV-17
• Formula: C16 H18 B Cl2 N7 Os
• Calculated formula: C16 H18 B Cl2 N7 Os
• SMILES: [Os]12(Cl)(Cl)([n]3n(ccc3)[BH](n3[n]1ccc3)n1[n]2ccc1)Nc1ccccc1C
• Title of publication: Slow Hydrogen Atom Self-Exchange between Os(IV) Anilide and Os(III) Aniline Complexes: Relationships with Electron and Proton Transfer Self-Exchange
• Authors of publication: Jake D. Soper; James M. Mayer
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 12217 - 12229
• a: 9.656 ± 0.0002 Å
• b: 20.688 ± 0.0005 Å
• c: 11.772 ± 0.0002 Å
• α: 90°
• β: 125.702 ± 0.0013°
• γ: 90°
• Cell volume: 1909.66 ± 0.08 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0517
• Weighted residual factors for all reflections included in the refinement: 0.0541
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No