Information card for entry 1515884

Structure parameters

• Formula: C104 H154 Sn6
• Calculated formula: C104 H154 Sn6
• SMILES: [Sn]12[Sn]3([Sn]([Sn]1(c1c(C(C)C)cc(C(C)C)cc1C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C)[Sn]2([Sn]3(c1c(C(C)C)cc(C(C)C)cc1C(C)C)c1c(C(C)C)cc(cc1C(C)C)C(C)C)c1c(C(C)C)cc(C(C)C)cc1C(C)C)c1c(C(C)C)cc(cc1C(C)C)C(C)C.Cc1ccccc1.c1(ccccc1)C
• 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: 15.8297 ± 0.0006 Å
• b: 14.7507 ± 0.0006 Å
• c: 43.5163 ± 0.0017 Å
• α: 90°
• β: 97.259 ± 0.002°
• γ: 90°
• Cell volume: 10079.6 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0594
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No