Information card for entry 4085997

Structure parameters

• Formula: C66 H76 Cl4 N12 S10 Sn6
• Calculated formula: C66 H76 Cl4 N12 S10 Sn6
• SMILES: C1(C)(CC(C)=[N](/N=C/c2cc3cccnc3cc2)[Sn]231S[Sn]14([N](/N=C/c5cc6cccnc6cc5)=C(CC4(C)C)C)S[Sn]4([S]21)(S[Sn]12(S[Sn]56(C(C)(C)CC(C)=[N]5/N=C/c5cc7cccnc7cc5)S[Sn]5([N](/N=C/c7cc8cccnc8cc7)=C(CC5(C)C)C)(S1)[S]26)S4)S3)C.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: 10.7352 ± 0.0006 Å
• b: 10.8246 ± 0.0006 Å
• c: 17.6041 ± 0.001 Å
• α: 83.918 ± 0.002°
• β: 86.837 ± 0.002°
• γ: 83.666 ± 0.002°
• Cell volume: 2019.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0734
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0559
• Weighted residual factors for all reflections included in the refinement: 0.0702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No