Information card for entry 4302590

Structure parameters

• Common name: TpiPr2ZnNO3
• Formula: C27 H46 B N7 O3 Zn
• Calculated formula: C27 H46 B N7 O3 Zn
• SMILES: [Zn]123([n]4n([BH](n5[n]3c(cc5C(C)C)C(C)C)n3[n]1c(cc3C(C)C)C(C)C)c(cc4C(C)C)C(C)C)[O]=N(=O)O2
• Title of publication: S-Nitrosothiol and Nitric Oxide Reactivity at Zinc Thiolates
• Authors of publication: Matthew S. Varonka; Timothy H. Warren
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 5605 - 5607
• a: 10.436 ± 0.004 Å
• b: 18.589 ± 0.007 Å
• c: 16.493 ± 0.006 Å
• α: 90°
• β: 107.343 ± 0.004°
• γ: 90°
• Cell volume: 3054 ± 2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No