Information card for entry 1519931

Structure parameters

• Formula: C89 H134 N2 Sn2
• Calculated formula: C89 H134 N2 Sn2
• SMILES: [Sn]([SnH2]c1c(c2c(C(C)C)cc(C(C)C)cc2C(C)C)cccc1c1c(cc(C(C)C)cc1C(C)C)C(C)C)([n]1ccc(N(C)C)cc1)c1c(c2c(cc(cc2C(C)C)C(C)C)C(C)C)cccc1c1c(C(C)C)cc(cc1C(C)C)C(C)C.C(CC)CC.CCCCC.CCCCC
• Title of publication: A nitrogen-base catalyzed generation of organotin(ii) hydride from an organotin trihydride under reductive dihydrogen elimination
• Authors of publication: Sindlinger, Christian P.; Stasch, Andreas; Bettinger, Holger F.; Wesemann, Lars
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 8
• Pages of publication: 4737
• a: 12.7122 ± 0.0005 Å
• b: 15.3521 ± 0.0006 Å
• c: 22.5773 ± 0.0009 Å
• α: 84.881 ± 0.002°
• β: 89.932 ± 0.002°
• γ: 82.556 ± 0.002°
• Cell volume: 4351.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0672
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1159
• Weighted residual factors for all reflections included in the refinement: 0.1257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No