Information card for entry 7053157

Structure parameters

• Formula: C14 H16 Cu2 N8 S4
• Calculated formula: C14 H16 Cu2 N8 S4
• SMILES: C1(=N[N]2[Cu]3([S]1[Cu]14([n]5ccccc5C=[N]1N=C(N)[S]34)S)([n]1ccccc1C=2)S)N
• Title of publication: Desulfurization processes of thiosemicarbazonecopper(ii) derivatives in acidic and basic aqueous media
• Authors of publication: Gil-García, Rubén; Fraile, Roberto; Donnadieu, Bruno; Madariaga, Gotzon; Januskaitis, Vaidas; Rovira, Jordi; González, Lucía; Borrás, Joaquín; Arnáiz, Francisco Javier; García-Tojal, Javier
• Journal of publication: New Journal of Chemistry
• Year of publication: 2013
• Journal volume: 37
• Journal issue: 11
• Pages of publication: 3568
• a: 7.668 ± 0.005 Å
• b: 8.251 ± 0.005 Å
• c: 8.861 ± 0.005 Å
• α: 111.221 ± 0.007°
• β: 93.978 ± 0.008°
• γ: 108.043 ± 0.007°
• Cell volume: 486.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0818
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for all reflections included in the refinement: 0.1347
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No