Information card for entry 2215315

Structure parameters

• Chemical name: Dichloridobis(methanol-κO)bis(6-methyl-3-phenyl-1,2,4-\ triazolo[3,4-b][1,3,4]thiadiazole-κN^1^)cadmium(II)
• Formula: C22 H24 Cd Cl2 N8 O2 S2
• Calculated formula: C22 H24 Cd Cl2 N8 O2 S2
• SMILES: c1ccccc1c1n[n]([Cd]([OH]C)([n]2nc(c3ccccc3)n3nc(C)sc23)([OH]C)(Cl)Cl)c2n1nc(C)s2
• Title of publication: Dichloridobis(methanol-κ<i>O</i>)bis(6-methyl-3-phenyl-1,2,4-triazolo[3,4-<i>b</i>][1,3,4]thiadiazole-κ<i>N</i>^1^)cadmium(II)
• Authors of publication: Peng-Zhi Hong; Wen-Dong Song; Zao-He Wu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: m2297 - m2297
• a: 6.7576 ± 0.0009 Å
• b: 8.6138 ± 0.0011 Å
• c: 12.1019 ± 0.0015 Å
• α: 95.588 ± 0.001°
• β: 104.037 ± 0.001°
• γ: 102.496 ± 0.001°
• Cell volume: 658.81 ± 0.15 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0191
• Residual factor for significantly intense reflections: 0.0187
• Weighted residual factors for significantly intense reflections: 0.0502
• Weighted residual factors for all reflections included in the refinement: 0.0505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes