Information card for entry 2216724

Structure parameters

• Chemical name: trans-Tetrakis(pyridine-κN)bis(thiocyanato-κN)manganese
• Formula: C22 H20 Mn N6 S2
• Calculated formula: C22 H20 Mn N6 S2
• SMILES: C(=N[Mn]([n]1ccccc1)([n]1ccccc1)(N=C=S)([n]1ccccc1)[n]1ccccc1)=S
• Title of publication: <i>trans</i>-Tetrakis(pyridine-κ<i>N</i>)bis(thiocyanato-κ<i>N</i>)manganese(II)
• Authors of publication: Hua Yang; Yuting Chen; Dacheng Li; Daqi Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m3186 - m3186
• a: 12.4982 ± 0.0012 Å
• b: 13.1542 ± 0.0014 Å
• c: 15.236 ± 0.002 Å
• α: 90°
• β: 107.413 ± 0.002°
• γ: 90°
• Cell volume: 2390.1 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0451
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes