Information card for entry 2012904

Structure parameters

• Formula: C22 H20 Co N10 S2
• Calculated formula: C22 H20 Co N10 S2
• SMILES: [Co]([n]1c([nH]c2c1cc1nc([nH]c1c2)C)C)([n]1c2cc3nc([nH]c3cc2[nH]c1C)C)(N=C=S)N=C=S
• Title of publication: The mononuclear cobalt(II) complex Co^II^(DMBDIZ)~2~(NCS)~2~, where DMBDIZ is 2,6-dimethylbenzo[1,2-<i>d</i>:4,5-<i>d</i>']diimidazole
• Authors of publication: Cai, Chen-Xin; Tian, Yun-Qi; Li, Yi-Zhi; You, Xiao-Zeng
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 8
• Pages of publication: m459 - m460
• a: 7.9459 ± 0.0013 Å
• b: 7.9698 ± 0.0012 Å
• c: 20.111 ± 0.003 Å
• α: 80.527 ± 0.003°
• β: 84.183 ± 0.003°
• γ: 67.291 ± 0.003°
• Cell volume: 1157.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0826
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes