Information card for entry 2236126

Structure parameters

• Chemical name: Bis(3-<i>tert</i>-butylpyridine-κ<i>N</i>)bis(4-<i>tert</i>-butylpyridine- κ<i>N</i>)bis(thiocyanato-κ<i>N</i>)cadmium
• Formula: C38 H52 Cd N6 S2
• Calculated formula: C38 H52 Cd N6 S2
• Title of publication: Bis(3-<i>tert</i>-butylpyridine-κ<i>N</i>)bis(4-<i>tert</i>-butylpyridine-κ<i>N</i>)bis(thiocyanato-κ<i>N</i>)cadmium
• Authors of publication: Reinert, Thorben; Jess, Inke; Näther, Christian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 11
• Pages of publication: m1372
• a: 9.5136 ± 0.0007 Å
• b: 10.7582 ± 0.0007 Å
• c: 11.6674 ± 0.001 Å
• α: 67.142 ± 0.008°
• β: 68.242 ± 0.009°
• γ: 76.472 ± 0.008°
• Cell volume: 1016.32 ± 0.16 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0637
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes