Information card for entry 2226915

Structure parameters

• Chemical name: Bis(2,2'-bi-1<i>H</i>-imidazole)copper(II) bis(1,1,3,3-tetracyano-2-ethoxypropenide)
• Formula: C30 H22 Cu N16 O2
• Calculated formula: C30 H22 Cu N16 O2
• SMILES: c12c3[n](cc[nH]3)[Cu]3([n]1cc[nH]2)[n]1c(c2[n]3cc[nH]2)[nH]cc1.C(#N)C(=C(OCC)[C-](C#N)C#N)C#N.C(#N)C(=C(OCC)[C-](C#N)C#N)C#N
• Title of publication: Bis(2,2'-bi-1<i>H</i>-imidazole)copper(II) bis(1,1,3,3-tetracyano-2-ethoxypropenide)
• Authors of publication: Gaamoune, Bachir; Setifi, Zouaoui; Beghidja, Adel; El-Ghozzi, Malika; Setifi, Fatima; Avignant, Daniel
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: m1044 - m1045
• a: 8.1001 ± 0.0008 Å
• b: 26.1834 ± 0.0011 Å
• c: 8.2185 ± 0.0007 Å
• α: 90°
• β: 117.086 ± 0.011°
• γ: 90°
• Cell volume: 1551.9 ± 0.3 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0685
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0676
• Weighted residual factors for all reflections included in the refinement: 0.0772
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes