Information card for entry 8102079

Structure parameters

• Chemical name: bis(2,5-bis(2-pyridyl)-1,3,4-thiadiazole)bis(perchlorato)copper(II)
• Formula: C24 H16 Cl2 Cu N8 O8 S2
• Calculated formula: C24 H16 Cl2 Cu N8 O8 S2
• SMILES: [Cu]12(OCl(=O)(=O)=O)(OCl(=O)(=O)=O)([n]3nc(sc3c3[n]1cccc3)c1ncccc1)[n]1ccccc1c1sc(n[n]21)c1ncccc1
• Title of publication: Crystal structure of bis(2,5-bis(2-pyridyl)-1,3,4-thiadiazole)-bis (perchlorato)copper(II), Cu(C~12~H~8~N~4~S)~2~(ClO~4~)~2~
• Authors of publication: Zheng, X.-F.; Wan, X.-S.; Liu, W.; Niu, C.-Y.; Kou, C.-H.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2006
• Journal volume: 221
• Journal issue: 4
• Pages of publication: 543 - 544
• a: 16.4224 ± 0.0012 Å
• b: 8.997 ± 0.0007 Å
• c: 19.636 ± 0.0015 Å
• α: 90°
• β: 93.284 ± 0.001°
• γ: 90°
• Cell volume: 2896.5 ± 0.4 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0635
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.1387
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No