Information card for entry 4079661

Structure parameters

• Formula: C14 H24 N2 S Zn
• Calculated formula: C14 H24 N2 S Zn
• SMILES: [Zn]12(SC(C[N]2(C)CCc2[n]1cccc2)(C)C)CC
• Title of publication: Reactions of Organozinc Thiolates with Nitrosonium Ion:C-Nitroso Formation by Possible Transnitrosation
• Authors of publication: Kozhukh, Julia; Fedoce Lopes, Juliana; Dos Santos, Hélio F.; Lippard, Stephen J.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 23
• Pages of publication: 8063
• a: 8.0009 ± 0.001 Å
• b: 15.3847 ± 0.0019 Å
• c: 12.2845 ± 0.0015 Å
• α: 90°
• β: 92.387 ± 0.002°
• γ: 90°
• Cell volume: 1510.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0597
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No