Information card for entry 8103238

Structure parameters

• Formula: C26 H20 Cu N14 O14 S8
• Calculated formula: C26 H20 Cu N14 O14 S8
• Title of publication: Crystal structure of catena-bis[2,2'-(1,3-propanedithio)-bis(1,3,4-thiadiazole)]bis(2,4,6-trinitrophenolate)copper(II), Cu(C7H8N4S4)2(C6H2N3O7)2
• Authors of publication: Jian-Hua Qin; Ai-Qin Tian; Jian-Ge Wang; 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: 465
• a: 8.7088 ± 0.0012 Å
• b: 11.4924 ± 0.0016 Å
• c: 11.8448 ± 0.0017 Å
• α: 65.594 ± 0.002°
• β: 70.588 ± 0.002°
• γ: 73.989 ± 0.002°
• Cell volume: 1004.9 ± 0.2 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: 0.0474
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No