Information card for entry 2208983

Structure parameters

• Chemical name: {2,4-Dibromo-6-[2- (dimethylamino)ethyliminomethyl]phenolato}thiocyanatonickel(II)
• Formula: C12 H13 Br2 N3 Ni O S
• Calculated formula: C12 H13 Br2 N3 Ni O S
• SMILES: [Ni]12(Oc3c(cc(Br)cc3Br)C=[N]1CC[N]2(C)C)N=C=S
• Title of publication: {2,4-Dibromo-6-[2-(dimethylamino)ethyliminomethyl]phenolato}thiocyanatonickel(II)
• Authors of publication: Xin-Zhi Sun; Jin-Sheng Shi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: m1130 - m1131
• a: 7.138 ± 0.001 Å
• b: 19.227 ± 0.003 Å
• c: 11.229 ± 0.002 Å
• α: 90°
• β: 90.995 ± 0.002°
• γ: 90°
• Cell volume: 1540.9 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1131
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes