Information card for entry 2013418

Structure parameters

• Formula: C24 H24 Cd2 Cl4 N8
• Calculated formula: C24 H24 Cd2 Cl4 N8
• SMILES: c12ccccc2[nH]c2[n]1[Cd]1([Cl][Cd]3([n]4c5ccccc5[nH]c4Cc4cc(C)[nH][n]34)([Cl]1)Cl)([n]1c(C2)cc([nH]1)C)Cl
• 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: 7.8306 ± 0.0002 Å
• b: 9.7979 ± 0.0003 Å
• c: 10.1976 ± 0.0004 Å
• α: 92.861 ± 0.001°
• β: 112.014 ± 0.001°
• γ: 105.493 ± 0.001°
• Cell volume: 689.07 ± 0.04 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: 0.0236
• Residual factor for significantly intense reflections: 0.0215
• Weighted residual factors for significantly intense reflections: 0.0495
• Weighted residual factors for all reflections included in the refinement: 0.0511
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes