Information card for entry 4085996

Structure parameters

• Formula: C78 H96 Cl12 N8 S10 Sn6
• Calculated formula: C78 H96 Cl12 N8 S10 Sn6
• SMILES: C1(C)(C)CC(C)=[N](/N=C(\C)c2cccc3ccccc23)[Sn]231S[Sn]14(S[Sn]5(S2)([S]31)C(C)(C)CC(=[N]5/N=C(\C)c1cccc2ccccc12)C)S[Sn]12(S[Sn]35(C(C)(C)CC(C)=[N]3/N=C(\C)c3cccc6ccccc36)S[Sn]3([N](/N=C(C)/c6cccc7ccccc67)=C(CC3(C)C)C)(S1)[S]25)S4.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl
• Title of publication: Functionalization of Sn/S Clusters with Hetero- and Polyaromatics
• Authors of publication: Leusmann, Eliza; Schneck, Felix; Dehnen, Stefanie
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 13
• Pages of publication: 3264
• a: 32.9747 ± 0.0015 Å
• b: 11.4272 ± 0.0005 Å
• c: 31.2524 ± 0.0013 Å
• α: 90°
• β: 121.84°
• γ: 90°
• Cell volume: 10004.1 ± 0.8 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1181
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1287
• Weighted residual factors for all reflections included in the refinement: 0.153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No