Information card for entry 1515883

Structure parameters

• Formula: C52 H74 N2 Sn
• Calculated formula: C52 H74 N2 Sn
• SMILES: [SnH](c1c(c2c(C(C)C)cc(C(C)C)cc2C(C)C)cccc1c1c(cc(C(C)C)cc1C(C)C)C(C)C)=C1N(C(C)=C(N1CC)C)CC.Cc1ccccc1
• Title of publication: Hydrogen abstraction from organotin di- and trihydrides by N-heterocyclic carbenes: a new method for the preparation of NHC adducts to tin(ii) species and observation of an isomer of a hexastannabenzene derivative [R6Sn6]
• Authors of publication: Sindlinger, Christian P.; Wesemann, Lars
• Journal of publication: Chemical Science
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 7
• Pages of publication: 2739
• a: 13.7423 ± 0.0003 Å
• b: 19.1733 ± 0.0005 Å
• c: 18.7204 ± 0.0005 Å
• α: 90°
• β: 105.761 ± 0.001°
• γ: 90°
• Cell volume: 4747.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0312
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0578
• Weighted residual factors for all reflections included in the refinement: 0.0605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No