Information card for entry 2236371

Structure parameters

• Chemical name: <i>Trans</i>-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>)manganese(II)
• Formula: C38 H52 Mn N6 S2
• Calculated formula: C38 H52 Mn N6 S2
• Title of publication: <i>Trans</i>-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>)manganese(II)
• 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: m1333
• a: 9.5921 ± 0.0007 Å
• b: 10.7253 ± 0.0009 Å
• c: 11.6286 ± 0.001 Å
• α: 66.87 ± 0.009°
• β: 68.011 ± 0.009°
• γ: 76.359 ± 0.009°
• Cell volume: 1014.59 ± 0.17 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: 0.0675
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1281
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes