Information card for entry 8103249

Structure parameters

• Formula: C20 H14 Cu N10 O14 S4
• Calculated formula: C20 H14 Cu N10 O14 S4
• Title of publication: Crystal structure of catena-{2,2'-[ethylene-1,2-dithio]-bis(5-methyl-1,3,4-thiadiazole)}bis(2,4,6-trinitro- phenolate)copper(II), Cu(C8H10N4S4)(C6H2N3O7)2
• Authors of publication: Pu-Zhou Hu; Xiang-Dong Han
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2011
• Journal volume: 226
• Journal issue: 4
• Pages of publication: 459
• a: 8.9671 ± 0.0012 Å
• b: 9.2622 ± 0.0012 Å
• c: 10.6485 ± 0.0014 Å
• α: 66.876 ± 0.001°
• β: 85.434 ± 0.002°
• γ: 70.606 ± 0.001°
• Cell volume: 765.89 ± 0.17 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0339
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.0794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No