Information card for entry 2013417

Structure parameters

• Formula: C12 H12 Cl2 Cu N4
• Calculated formula: C12 H12 Cl2 Cu N4
• SMILES: [Cu]1(Cl)(Cl)n2c3ccccc3[nH]c2Cc2n1[nH]c(c2)C
• Title of publication: Complexation du 2-[(5-méthylpyrazolyl)méthyle]benzimidazole par les chlorures de cuivre et de cadmium
• Authors of publication: Sbai, F.; Regragui, R.; Essassi, E., M.; Kenz, A.; Pierrot, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 8
• Pages of publication: m334 - m336
• a: 13.4356 ± 0.0006 Å
• b: 7.2183 ± 0.0002 Å
• c: 16.0421 ± 0.0006 Å
• α: 90°
• β: 118.51 ± 0.002°
• γ: 90°
• Cell volume: 1367.13 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0359
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0746
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes