Information card for entry 7700423

Structure parameters

• Formula: C42 H40 Cu2 N8 S8
• Calculated formula: C42 H40 Cu2 N8 S8
• 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: 31.3989 ± 0.0008 Å
• b: 9.4317 ± 0.0002 Å
• c: 15.6907 ± 0.0004 Å
• α: 90°
• β: 102.795 ± 0.002°
• γ: 90°
• Cell volume: 4531.34 ± 0.19 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0834
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No