Information card for entry 7015059

Structure parameters

• Formula: C24 H31 N3 S6 Sn
• Calculated formula: C24 H31 N3 S6 Sn
• SMILES: [Sn]123(Sc4ccccc4S1)(Sc1ccccc1S2)Sc1ccccc1S3.[NH2+](C)C.[NH2+](C)C.N#CC
• Title of publication: An unexpected dependence on the Sn(II) base; reactions of Sn(NR(2))(2) with aromatic dithiols.
• Authors of publication: Melen, Rebecca L.; McPartlin, Mary; Wright, Dominic S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 8
• Pages of publication: 1649 - 1651
• a: 7.7617 ± 0.0001 Å
• b: 13.0775 ± 0.0002 Å
• c: 28.9361 ± 0.0006 Å
• α: 90°
• β: 97.77 ± 0.001°
• γ: 90°
• Cell volume: 2910.15 ± 0.08 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• 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: 0.0316
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.441
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No