Information card for entry 2211170

Structure parameters

• Chemical name: Diisothiocyanato-1,2-bis(benzimidazol-2-yl)ethanecobalt(II)
• Formula: C18 H14 Co N6 S2
• Calculated formula: C18 H14 Co N6 S2
• SMILES: [Co]1([n]2c3ccccc3[nH]c2CCc2[n]1c1ccccc1[nH]2)(N=C=S)N=C=S
• Title of publication: [1,2-Bis(benzimidazol-2-yl)ethane]diisothiocyanatocobalt(II)
• Authors of publication: Xiao-Ping Shen; Ai-Hua Yuan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: m2849 - m2850
• a: 9.4393 ± 0.0019 Å
• b: 9.4588 ± 0.0019 Å
• c: 11.552 ± 0.002 Å
• α: 96.323 ± 0.003°
• β: 94.908 ± 0.003°
• γ: 115.407 ± 0.003°
• Cell volume: 915.8 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections included in the refinement: 0.0658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes