Information card for entry 8102254

Structure parameters

• Formula: C4 H4 Cu N6 O6 S2
• Calculated formula: C4 H4 Cu N6 O6 S2
• Title of publication: Crystal structure of catena-(1,3,4-thiadiazole)copper(II)-(m-nitrato) nitrate, [Cu(C2H2N2S)2(NO3)][NO3]
• Authors of publication: Pu-Zhou Hu; Jian-Hua Qin; Jian-Ge Wang; Bang-Tun Zhao
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2008
• Journal volume: 223
• Journal issue: 2
• Pages of publication: 129
• a: 7.1346 ± 0.0017 Å
• b: 10.649 ± 0.003 Å
• c: 7.34 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 557.7 ± 0.2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 51
• Hermann-Mauguin space group symbol: P m m a
• Hall space group symbol: -P 2a 2a
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No