Information card for entry 7700420

Structure parameters

• Formula: C21 H22 Cu N4 S4
• Calculated formula: C21 H22 Cu N4 S4
• Title of publication: Trivalent copper stabilised by acetylacetone dithiocarbazate Schiff base ligands: structural, spectroscopic and electrochemical properties.
• Authors of publication: Bilyj, Jessica K.; Silajew, Nicole V.; Hanson, Graeme R.; Harmer, Jeffrey R.; Bernhardt, Paul V.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 41
• Pages of publication: 15501 - 15514
• a: 9.202 ± 0.0006 Å
• b: 9.8519 ± 0.0009 Å
• c: 13.1757 ± 0.0013 Å
• α: 78.592 ± 0.008°
• β: 80.289 ± 0.007°
• γ: 77.953 ± 0.007°
• Cell volume: 1134.93 ± 0.17 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0567
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No