Information card for entry 7235706

Structure parameters

• Formula: C7 H5 Cu O S
• Calculated formula: C7 H5 Cu O S
• Title of publication: Synthesis, structure, and catalytic activities of new Cu(i) thiocarboxylate complexes
• Authors of publication: Joshi, Deepak Kumar; Mishra, Kunj Bihari; Tiwari, Vinod Kumar; Bhattacharya, Subrato
• Journal of publication: RSC Adv.
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 75
• Pages of publication: 39790
• a: 5.729 ± 0.0011 Å
• b: 7.0037 ± 0.001 Å
• c: 31.751 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1274 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1049
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No