Information card for entry 4332074

Structure parameters

• Formula: C31 H47 Al N2 S2 Sn
• Calculated formula: C31 H47 Al N2 S2 Sn
• SMILES: [Sn]1(S[Al]2(N(C(=CC(=[N]2c2c(cccc2C(C)C)C(C)C)C)C)c2c(cccc2C(C)C)C(C)C)S1)(C)C
• Title of publication: Synthesis and Characterization of Aluminum-Containing Tin(IV) Heterobimetallic Sulfides
• Authors of publication: Yang, Zhi; Ma, Xiaoli; Jancik, Vojtech; Zhang, Zhensheng; Roesky, Herbert W.; Magull, Jörg; Noltemeyer, Mathias; Schmidt, Hans-Georg; Cea-Olivares, Raymundo; Toscano, Rubén A.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 8
• Pages of publication: 3312 - 3315
• a: 10.502 ± 0.002 Å
• b: 26.736 ± 0.004 Å
• c: 12.615 ± 0.003 Å
• α: 90°
• β: 104.74 ± 0.03°
• γ: 90°
• Cell volume: 3425.5 ± 1.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• 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: 0.0586
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No