Information card for entry 7053161

Structure parameters

• Formula: C15.72 H16 Cu2 N12 O6.83 S3.72
• Calculated formula: C15.722 H16 Cu2 N12 O6.834 S3.722
• 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: 10.164 ± 0.002 Å
• b: 20.143 ± 0.008 Å
• c: 13.375 ± 0.004 Å
• α: 90°
• β: 105.39 ± 0.03°
• γ: 90°
• Cell volume: 2640.1 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.123
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for all reflections included in the refinement: 0.0715
• Goodness-of-fit parameter for all reflections included in the refinement: 0.745
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No