Information card for entry 7017494

Structure parameters

• Formula: C22 H14 Cu N2 O5 S2
• Calculated formula: C22 H14 Cu N2 O5 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: 10.5195 ± 0.001 Å
• b: 13.8376 ± 0.0012 Å
• c: 14.583 ± 0.0012 Å
• α: 90°
• β: 92.567 ± 0.008°
• γ: 90°
• Cell volume: 2120.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1432
• Residual factor for significantly intense reflections: 0.1081
• Weighted residual factors for significantly intense reflections: 0.2794
• Weighted residual factors for all reflections included in the refinement: 0.2986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No