Information card for entry 7017491

Structure parameters

• Formula: C17 H23 Cl3 Cu N2 O4 S2
• Calculated formula: C17 H23 Cl3 Cu N2 O4 S2
• Title of publication: Studies of synthesis, structural features of Cu(I) thiophene-2-thiocarboxylates and unprecedented desulfurization of Cu(II) thiocarboxylate complexes.
• Authors of publication: Singh, Suryabhan; Chaturvedi, Jyotsna; Bhattacharya, Subrato
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 2
• Pages of publication: 424 - 431
• a: 17.575 ± 0.004 Å
• b: 17.691 ± 0.003 Å
• c: 15.398 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4787.5 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 29
• Hermann-Mauguin space group symbol: P b c 21
• Hall space group symbol: P 2c -2b
• Residual factor for all reflections: 0.1282
• Residual factor for significantly intense reflections: 0.0756
• Weighted residual factors for significantly intense reflections: 0.1955
• Weighted residual factors for all reflections included in the refinement: 0.247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No