Information card for entry 1516952

Structure parameters

• Formula: C72 H64 N2 O10 P2 S4 Sn2
• Calculated formula: C72 H64 N2 O10 P2 S4 Sn2
• SMILES: [Sn](SP(=S)(OCCOCCN1C(=O)c2ccc3C(=O)N(C(=O)c4ccc(C1=O)c2c34)CCOCCOP(S[Sn](c1ccccc1)(c1ccccc1)c1ccccc1)(=S)c1ccc(OC)cc1)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: 13.7321 ± 0.0002 Å
• b: 10.5102 ± 0.0002 Å
• c: 23.2601 ± 0.0003 Å
• α: 90°
• β: 97.74 ± 0.001°
• γ: 90°
• Cell volume: 3326.48 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0414
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections included in the refinement: 0.0929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No