Information card for entry 4333767

Structure parameters

• Formula: C24 H18 Cu F3 N4 S5
• Calculated formula: C24 H18 Cu F3 N4 S5
• SMILES: C1(=N[N]2[Cu]3([N](C(=CC=2C(F)(F)F)c2cccs2)=NC(=[S]3)SCc2ccccc2)S1)SCc1ccccc1
• Title of publication: The Trivalent Copper Complex of a Conjugated Bis-dithiocarbazate Schiff Base: Stabilization of Cu in Three Different Oxidation States
• Authors of publication: Mohammad Akbar Ali; Paul V. Bernhardt; Mathilde A. H. Brax; Jason England; Anthony J. Farlow; Graeme R. Hanson; Lee Len Yeng; Aminul Huq Mirza; Karl Wieghardt
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 1650 - 1657
• a: 5.0358 ± 0.0003 Å
• b: 13.2672 ± 0.001 Å
• c: 20.3669 ± 0.001 Å
• α: 87.617 ± 0.005°
• β: 85.132 ± 0.004°
• γ: 79.557 ± 0.005°
• Cell volume: 1332.89 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0724
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0562
• Weighted residual factors for all reflections included in the refinement: 0.0601
• Goodness-of-fit parameter for all reflections included in the refinement: 0.808
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No