Information card for entry 7040136

Structure parameters

• Formula: C17 H19 Cu N2 O11 S
• Calculated formula: C17 H19 Cu N2 O11 S
• Title of publication: Syntheses and crystal structures of benzene-sulfonate and -carboxylate copper polymers and their application in the oxidation of cyclohexane in ionic liquid under mild conditions.
• Authors of publication: Hazra, Susanta; Ribeiro, Ana P. C.; Guedes da Silva, M Fátima C; Nieto de Castro, Carlos A.; Pombeiro, Armando J. L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 35
• Pages of publication: 13957 - 13968
• a: 9.4867 ± 0.0003 Å
• b: 10.629 ± 0.0004 Å
• c: 11.8068 ± 0.0005 Å
• α: 98.625 ± 0.002°
• β: 92.974 ± 0.002°
• γ: 116.142 ± 0.001°
• Cell volume: 1047.28 ± 0.07 ų
• Cell temperature: 303 ± 2 K
• Ambient diffraction temperature: 303 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0469
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.0929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No