Information card for entry 4119986

Structure parameters

• Formula: C27 H29 Cl3 N4 O Sn
• Calculated formula: C27 H29 Cl3 N4 O Sn
• SMILES: [Sn]1(Cl)(Cl)(Cl)([O]=N[N]1=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)c1ccccc1
• Title of publication: Adducts of Nitrous Oxide and N-Heterocyclic Carbenes: Syntheses, Structures, and Reactivity
• Authors of publication: Alexander G. Tskhovrebov; Basile Vuichoud; Euro Solari; Rosario Scopelliti; Kay Severin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 9486 - 9492
• a: 8.4422 ± 0.0019 Å
• b: 8.957 ± 0.001 Å
• c: 19.625 ± 0.003 Å
• α: 91.472 ± 0.01°
• β: 94.216 ± 0.014°
• γ: 105.129 ± 0.011°
• Cell volume: 1427.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No