Information card for entry 4311632

Structure parameters

• Common name: TpOs[NH-(2-naphthyl-1-piperidine)]Cl2
• Chemical name: TpOs[NH-(2-naphthyl-1-piperidine)]Cl2
• Formula: C24 H27 B Cl2 N8 Os
• Calculated formula: C24 H27 B Cl2 N8 Os
• SMILES: [Os]12(Cl)(Cl)([n]3n(ccc3)[BH](n3[n]1ccc3)n1[n]2ccc1)Nc1c(N2CCCCC2)c2ccccc2cc1
• Title of publication: Nucleophilic Aromatic Substitution on Aryl-Amido Ligands Promoted by Oxidizing Osmium(IV) Centers
• Authors of publication: Jake D. Soper; Erik Saganic; David Weinberg; David A. Hrovat; Jason B. Benedict; Werner Kaminsky; James M. Mayer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 5804 - 5815
• a: 11.865 ± 0.0005 Å
• b: 11.932 ± 0.0005 Å
• c: 18.691 ± 0.0008 Å
• α: 90°
• β: 104.236 ± 0.002°
• γ: 90°
• Cell volume: 2564.88 ± 0.19 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: 0.0916
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.0746
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No