Information card for entry 2228657

Structure parameters

• Chemical name: {2-[6-(1<i>H</i>-Benzimidazol-2-yl-κ<i>N</i>^3^)-2-pyridyl- κ<i>N</i>]benzimidazolato-κ<i>N</i>}(dicyanamido-κ<i>N</i>)(methanol- κ<i>O</i>)copper(II)
• Formula: C22 H16 Cu N8 O
• Calculated formula: C22 H16 Cu N8 O
• SMILES: [Cu]12([OH]C)([n]3c(c4n2c2ccccc2n4)cccc3c2[n]1c1c([nH]2)cccc1)N=C=NC#N
• Title of publication: {2-[6-(1<i>H</i>-Benzimidazol-2-yl-κ<i>N</i>^3^)-2-pyridyl-κ<i>N</i>]benzimidazolato-κ<i>N</i>}(dicyanamido-κ<i>N</i>)(methanol-κ<i>O</i>)copper(II)
• Authors of publication: Hu, Jingchun; Zhang, Jinfang; Zhang, Weiming; Zhang, Chi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: m61
• a: 6.8262 ± 0.0014 Å
• b: 12.189 ± 0.002 Å
• c: 12.609 ± 0.003 Å
• α: 101.74 ± 0.03°
• β: 99.03 ± 0.03°
• γ: 97.12 ± 0.03°
• Cell volume: 1001.2 ± 0.4 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: 0.0338
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0706
• Weighted residual factors for all reflections included in the refinement: 0.0724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes