Information card for entry 2240227

Structure parameters

• Chemical name: Poly[[(2,2'-bipyridine)manganese(II)]-di-μ-thiocyanato]
• Formula: C12 H8 Mn N4 S2
• Calculated formula: C12 H8 Mn N4 S2
• SMILES: c1cccc2[n]1[Mn](N=C=S)(N=C=S)[n]1ccccc21
• Title of publication: Crystal structure of poly[[(2,2'-bipyridine)manganese(II)]-di-μ-thiocyanato]
• Authors of publication: Suckert, Stefan; Wöhlert, Susanne; Jess, Inke; Näther, Christian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 12
• Pages of publication: m401 - m402
• a: 7.6158 ± 0.0005 Å
• b: 16.2007 ± 0.0014 Å
• c: 10.6784 ± 0.0007 Å
• α: 90°
• β: 90.129 ± 0.008°
• γ: 90°
• Cell volume: 1317.51 ± 0.17 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0322
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0636
• Weighted residual factors for all reflections included in the refinement: 0.0654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes