Information card for entry 4319511

Structure parameters

• Common name: TpOs(NHPh)(OTf)2
• Formula: C17 H16 B F6 N7 O6 Os S2
• Calculated formula: C17 H16 B F6 N7 O6 Os S2
• SMILES: c1ccn2[BH]3n4ccc[n]4[Os]([n]12)([n]1cccn31)(Nc1ccccc1)(OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F
• Title of publication: Protonation and Deprotonation of TpOs(NHPh)Cl2: An Unusually Inert Amido Ligand
• Authors of publication: Jake D. Soper; Brian K. Bennett; Scott Lovell; James M. Mayer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 1888 - 1893
• a: 9.491 ± 0.001 Å
• b: 11.604 ± 0.002 Å
• c: 13.231 ± 0.002 Å
• α: 73.58 ± 0.008°
• β: 90.034 ± 0.008°
• γ: 70 ± 0.007°
• Cell volume: 1305.8 ± 0.3 ų
• Cell temperature: 161 ± 2 K
• Ambient diffraction temperature: 161 ± 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: 0.1388
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 0.874
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No