Information card for entry 1516950

Structure parameters

• Formula: C68 H56 N2 O8 P2 S4 Sn2
• Calculated formula: C68 H56 N2 O8 P2 S4 Sn2
• SMILES: [Sn](SP(=S)(OCCN1C(=O)c2ccc3c4c(C(=O)N(C3=O)CCOP(=S)(S[Sn](c3ccccc3)(c3ccccc3)c3ccccc3)c3ccc(OC)cc3)ccc(c24)C1=O)c1ccc(OC)cc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Metal complexes of ditopic dithiophosphonate ligands built on a naphthalenediimide core
• Authors of publication: Radu F. Semeniuc; Robert R. Baum; Jedidiah J. Veach; Kraig A. Wheeler; Perry J. Pellechia
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 400
• Pages of publication: 228 - 238
• a: 9.1471 ± 0.0011 Å
• b: 13.362 ± 0.0015 Å
• c: 14.7072 ± 0.0017 Å
• α: 75.808 ± 0.005°
• β: 78.661 ± 0.005°
• γ: 87.864 ± 0.005°
• Cell volume: 1708.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.139
• Residual factor for significantly intense reflections: 0.099
• Weighted residual factors for significantly intense reflections: 0.2289
• Weighted residual factors for all reflections included in the refinement: 0.2505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No