Information card for entry 8103251

Structure parameters

• Formula: C22 H18 Cu N10 O14 S4
• Calculated formula: C22 H18 Cu N10 O14 S4
• Title of publication: Crystal structure of catena-{2,2'-[butylene-1,4-dithio]-bis(5-methyl-1,3,4-thiadiazole)}bis(2,4,6-trinitro-phenolate)copper(II), Cu(C10H14S4N4)(C6H2N3O7)2
• Authors of publication: Jian-Ge Wang; Hui-Ju Zhang; Pu-Zhou Hu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2011
• Journal volume: 226
• Journal issue: 4
• Pages of publication: 461
• a: 8.518 ± 0.003 Å
• b: 9.978 ± 0.004 Å
• c: 10.444 ± 0.004 Å
• α: 108.853 ± 0.004°
• β: 98.761 ± 0.004°
• γ: 103.085 ± 0.004°
• Cell volume: 793.4 ± 0.5 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: 0.0443
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.0807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No