Information card for entry 2241784

Structure parameters

• Chemical name: Bis[2,5-bis(pyridin-2-yl)-1,3,4-thiadiazole-κ^2^<i>N</i>^2^,<i>N</i>^3^]bis(thiocyanato-κ<i>S</i>)copper(II)
• Formula: C26 H16 Cu N10 S4
• Calculated formula: C26 H16 Cu N10 S4
• SMILES: c12c3cccc[n]3[Cu]3([n]1nc(c1ccccn1)s2)(SC#N)([n]1c(c2[n]3nc(c3ccccn3)s2)cccc1)SC#N
• Title of publication: Crystal structure of bis[2,5-bis(pyridin-2-yl)-1,3,4-thiadiazole-κ^2^<i>N</i>^2^,<i>N</i>^3^]bis(thiocyanato-κ<i>S</i>)copper(II)
• Authors of publication: Laachir, Abdelhakim; Bentiss, Fouad; Guesmi, Salaheddine; Saadi, Mohamed; El Ammari, Lahcen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 8
• Pages of publication: 1176 - 1178
• a: 8.0205 ± 0.0003 Å
• b: 7.8434 ± 0.0003 Å
• c: 21.3454 ± 0.0009 Å
• α: 90°
• β: 92.565 ± 0.002°
• γ: 90°
• Cell volume: 1341.45 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0541
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes