Information card for entry 2227900

Structure parameters

• Chemical name: Di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>- bis[bis(2-methyl-1<i>H</i>-benzimidazole-κ<i>N</i>^3^)(thiocyanato- κ<i>N</i>)cadmium(II)]
• Formula: C36 H32 Cd2 N12 S4
• Calculated formula: C36 H32 Cd2 N12 S4
• SMILES: Cc1[n](c2c(cccc2)[nH]1)[Cd]1([n]2c(C)[nH]c3c2cccc3)(N=C=S)N=C=[S][Cd]([n]2c(C)[nH]c3ccccc23)([n]2c(C)[nH]c3ccccc23)(N=C=S)N=C=[S]1
• Title of publication: Di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>-bis[bis(2-methyl-1<i>H</i>-benzimidazole-κ<i>N</i>^3^)(thiocyanato-κ<i>N</i>)cadmium(II)]
• Authors of publication: A. Shaker, Shayma; Khaledi, Hamid; Mohd Ali, Hapipah
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: m1464
• a: 18.1519 ± 0.0011 Å
• b: 10.2098 ± 0.0006 Å
• c: 21.7385 ± 0.0013 Å
• α: 90°
• β: 97.864 ± 0.001°
• γ: 90°
• Cell volume: 3990.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0257
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for significantly intense reflections: 0.0454
• Weighted residual factors for all reflections included in the refinement: 0.047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes