Information card for entry 2017689

Structure parameters

• Chemical name: dichlorido{2,5-bis[3-(1<i>H</i>-1,3-imidazol-1-ylmethyl)phenyl]-1,3,4-\ oxadiazole}cobalt(II)
• Formula: C22 H18 Cl2 Co N6 O
• Calculated formula: C22 H18 Cl2 Co N6 O
• SMILES: c1cn2c[n]1[Co](Cl)(Cl)[n]1ccn(Cc3cccc(c4nnc(c5cccc(C2)c5)o4)c3)c1
• Title of publication: A novel 18-membered metallocycle in {2,5-bis[3-(1<i>H</i>-1,3-imidazol-1-ylmethyl)phenyl]-1,3,4-oxadiazole}dichloridocobalt(II)
• Authors of publication: Wu, Yan; Hou, Gui-Ge; Ma, Jian-Ping; Dong, Yu-Bin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: m163 - m165
• a: 7.313 ± 0.003 Å
• b: 11.056 ± 0.005 Å
• c: 14.572 ± 0.007 Å
• α: 74.376 ± 0.006°
• β: 79.57 ± 0.007°
• γ: 87.592 ± 0.007°
• Cell volume: 1115.9 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0882
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1328
• Weighted residual factors for all reflections included in the refinement: 0.1459
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes