Information card for entry 2008246

Structure parameters

• Formula: C14 H16 Cl2 N2 Ni S2
• Calculated formula: C14 H16 Cl2 N2 Ni S2
• SMILES: C1[S]2Cc3cccc[n]3[Ni]32(Cl)([n]2c(C[S]3C1)cccc2)Cl
• Title of publication: Dichloro[2,2'-(2,5-dithiahexamethylene)dipyridine-<i>N</i>,<i>N</i>',<i>S</i>,<i>S</i>']nickel(II)
• Authors of publication: Thangarasu Pandiyan; Bernès, Sylvain; Durán de Bazúa, Carmen
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 3
• Pages of publication: 318 - 320
• a: 14.5297 ± 0.0016 Å
• b: 8.2314 ± 0.0014 Å
• c: 14.3684 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1718.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0445
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.0694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No