Information card for entry 7110174

Structure parameters

• Common name: iPr2TpZn(OAc)
• Formula: C29 H49 B N6 O2 Zn
• Calculated formula: C29 H49 B N6 O2 Zn
• SMILES: [Zn]12([n]3n(c(C(C)C)cc3C(C)C)[BH](n3[n]1c(C(C)C)cc3C(C)C)n1[n]2c(cc1C(C)C)C(C)C)OC(=O)C
• Title of publication: Conversion of nitrite to nitric oxide at zinc via S-nitrosothiols
• Authors of publication: Allan Jay P. Cardenas; Rebecca Abelman; Timothy H. Warren
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 168
• a: 12.2024 ± 0.0019 Å
• b: 16.263 ± 0.003 Å
• c: 15.918 ± 0.003 Å
• α: 90°
• β: 94.572 ± 0.002°
• γ: 90°
• Cell volume: 3148.8 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No