Information card for entry 2205347

Structure parameters

• Chemical name: Diisothiocyanatobis(2-methyl-1H-imidazole)cobalt(II)
• Formula: C10 H12 Co N6 S2
• Calculated formula: C10 H12 Co N6 S2
• SMILES: c1([n](cc[nH]1)[Co]([n]1c(C)[nH]cc1)(N=C=S)N=C=S)C
• Title of publication: Diisothiocyanatobis(2-methyl-1<i>H</i>-imidazole)cobalt(II)
• Authors of publication: Faqian Liu; Fangfang Jian; Lude Lu; Xujie Yang; Xin Wang; Hailian Xiao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: m425 - m426
• a: 8.425 ± 0.0017 Å
• b: 12.577 ± 0.003 Å
• c: 13.945 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1477.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.042
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No