Information card for entry 2240274

Structure parameters

• Chemical name: Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(thiocyanato-κ<i>N</i>)manganese(II) 2,2'-bipyridine monosolvate
• Formula: C32 H24 Mn N8 S2
• Calculated formula: C32 H24 Mn N8 S2
• SMILES: N(=C=S)[Mn]12(N=C=S)([n]3ccccc3c3cccc[n]13)[n]1ccccc1c1cccc[n]21.c1(ccccn1)c1ccccn1
• Title of publication: Crystal structure of bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(thiocyanato-κ<i>N</i>)manganese(II) 2,2'-bipyridine monosolvate
• Authors of publication: Suckert, Stefan; Jess, Inke; Näther, Christian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 1
• Pages of publication: m3 - m4
• a: 14.5263 ± 0.0006 Å
• b: 13.5383 ± 0.0004 Å
• c: 16.0726 ± 0.0007 Å
• α: 90°
• β: 105.535 ± 0.003°
• γ: 90°
• Cell volume: 3045.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.0941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes