Information card for entry 2237055

Structure parameters

• Chemical name: Bis[4-(dimethylamino)pyridinium] bis[4-(dimethylamino)pyridine- κ<i>N</i>^1^]tetrakis(thiocyanato-κ<i>N</i>)manganate(II)
• Formula: C32 H42 Mn N12 S4
• Calculated formula: C32 H42 Mn N12 S4
• SMILES: [Mn](N=C=S)(N=C=S)(N=C=S)(N=C=S)([n]1ccc(cc1)N(C)C)[n]1ccc(cc1)N(C)C.[nH+]1ccc(cc1)N(C)C.[nH+]1ccc(cc1)N(C)C
• Title of publication: Bis[4-(dimethylamino)pyridinium] bis[4-(dimethylamino)pyridine-κ<i>N</i>^1^]tetrakis(thiocyanato-κ<i>N</i>)manganate(II)
• Authors of publication: Wöhlert, Susanne; Jess, Inke; Näther, Christian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: m1528
• a: 11.7307 ± 0.0008 Å
• b: 11.901 ± 0.0009 Å
• c: 15.4224 ± 0.0012 Å
• α: 102.52 ± 0.009°
• β: 96.794 ± 0.009°
• γ: 107.4 ± 0.008°
• Cell volume: 1966.6 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0644
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1207
• 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: No
• Has Fobs: Yes