Information card for entry 2240384

Structure parameters

• Chemical name: Bis(azido-κ<i>N</i>)bis[2,5-bis(pyridin-2-yl)-1,3,4-thiadiazole-\ κ^2^<i>N</i>^2^,<i>N</i>^3^]nickel(II)
• Formula: C24 H16 N14 Ni S2
• Calculated formula: C24 H16 N14 Ni S2
• SMILES: c1cccc2[n]1[Ni]1([n]3ccccc3c3[n]1nc(c1ncccc1)s3)([n]1c2sc(c2ncccc2)n1)(N=N#N)N=N#N
• Title of publication: Crystal structure of bis(azido-κ<i>N</i>)bis[2,5-bis(pyridin-2-yl)-1,3,4-thiadiazole-κ^2^<i>N</i>^2^,<i>N</i>^3^]nickel(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: 2015
• Journal volume: 71
• Journal issue: 2
• Pages of publication: m24 - m25
• a: 7.7981 ± 0.0003 Å
• b: 8.241 ± 0.0003 Å
• c: 20.1555 ± 0.0007 Å
• α: 90°
• β: 93.141 ± 0.002°
• γ: 90°
• Cell volume: 1293.33 ± 0.08 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: 0.0431
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.0998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes