Information card for entry 2229371

Structure parameters

• Chemical name: Dichlorido(3,5,5'-trimethyl-1,3'-bi-1<i>H</i>-pyrazole- κ^2^<i>N</i>^2^,<i>N</i>^2'^)copper(II)
• Formula: C9 H12 Cl2 Cu N4
• Calculated formula: C9 H12 Cl2 Cu N4
• SMILES: [Cu]1(Cl)(Cl)[n]2n(c(cc2C)C)c2[n]1[nH]c(c2)C
• Title of publication: Dichlorido(3,5,5'-trimethyl-1,3'-bi-1<i>H</i>-pyrazole-κ^2^<i>N</i>^2^,<i>N</i>^2'^)copper(II)
• Authors of publication: El Ghayati, Lhoussaine; El Ammari, Lahcen; Labd Taha, Mohamed; Tjiou, El Mostafa
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: m323 - m324
• a: 8.5475 ± 0.0002 Å
• b: 9.3475 ± 0.0003 Å
• c: 9.3512 ± 0.0003 Å
• α: 66.379 ± 0.002°
• β: 62.876 ± 0.001°
• γ: 78.065 ± 0.002°
• Cell volume: 608.99 ± 0.03 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0411
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes