Information card for entry 7027599

Structure parameters

• Formula: C28 H26 Cu O2 P S2
• Calculated formula: C28 H26 Cu O2 P S2
• SMILES: C(=O)(C)S[Cu]SC(=O)C.c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Chemistry of thiocarboxylates: syntheses and characterization of silver and copper thiocarboxylate complexes, and the structures of [Ph4P][M(SC{O}Me)2] (M = Cu or Ag) and [Et3NH][Ag(SC{O}Ph)2]
• Authors of publication: Sampanthar, Jeyagowry T.; Vittal, Jagadese J.; Dean, Philip A. W.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 18
• Pages of publication: 3153
• a: 11.5184 ± 0.0006 Å
• b: 11.5184 ± 0.0006 Å
• c: 19.7666 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2622.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.1796
• Residual factor for significantly intense reflections: 0.1072
• Weighted residual factors for significantly intense reflections: 0.1439
• Weighted residual factors for all reflections included in the refinement: 0.1654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.195
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No