Information card for entry 7231054

Structure parameters

• Chemical name: dithiocianato-bis(2-methylimidazole)zinc(II)
• Formula: C10 H12 N6 S2 Zn
• Calculated formula: C10 H12 N6 S2 Zn
• Title of publication: Exploring weak intermolecular interactions in thiocyanate-bonded Zn(ii) and Cd(ii) complexes with methylimidazole: crystal structures, Hirshfeld surface analysis and luminescence properties
• Authors of publication: Di Santo, Alejandro; Pérez, Hiram; Echeverría, Gustavo A.; Piro, Oscar E.; Iglesias, Rodrigo A.; Carbonio, Raúl E.; Ben Altabef, Aida; Gil, Diego M.
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 42
• Pages of publication: 23891
• a: 8.4322 ± 0.0003 Å
• b: 12.5613 ± 0.0005 Å
• c: 13.9647 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1479.13 ± 0.1 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0603
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.0796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No