Information card for entry 2214445

Structure parameters

• Chemical name: Di-μ-chlorido-bis{[(1H-benzo[d]imidazol-2- ylmethyl)dibenzylamine]chloridocadmium(II)} ethanol disolvate
• Formula: C48 H54 Cd2 Cl4 N6 O2
• Calculated formula: C48 H54 Cd2 Cl4 N6 O2
• SMILES: c1(C[N]2(Cc3[n](c4ccccc4[nH]3)[Cd]32([Cl][Cd]2([N](Cc4ccccc4)(Cc4ccccc4)Cc4[n]2c2ccccc2[nH]4)(Cl)[Cl]3)Cl)Cc2ccccc2)ccccc1.OCC.OCC
• Title of publication: Di-μ-chlorido-bis{[(1<i>H</i>-benzo[<i>d</i>]imidazol-2-ylmethyl)dibenzylamine]chloridocadmium(II)} ethanol disolvate
• Authors of publication: Guang-Ju Ping; Jian-Fang Ma; Lai-Ping Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: m1821 - m1822
• a: 12.636 ± 0.0009 Å
• b: 13.362 ± 0.001 Å
• c: 15.02 ± 0.0011 Å
• α: 90°
• β: 101.955 ± 0.005°
• γ: 90°
• Cell volume: 2481 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.032
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes