Information card for entry 2212263

Structure parameters

• Chemical name: Bis(methanol)bis[(E)-4-methoxy-N-(4- pyridylmethylene)aniline]bis(thiocyanate)manganese(II)
• Formula: C30 H32 Mn N6 O4 S2
• Calculated formula: C30 H32 Mn N6 O4 S2
• SMILES: [OH](C)[Mn]([n]1ccc(cc1)/C=N/c1ccc(OC)cc1)([n]1ccc(cc1)/C=N/c1ccc(OC)cc1)(N=C=S)(N=C=S)[OH]C
• Title of publication: Bis(methanol)bis[(<i>E</i>)-4-methoxy-<i>N</i>-(4-pyridylmethylene)aniline]dithiocyanatomanganese(II)
• Authors of publication: Wei Li; Yun-He Xu; Xue-Yan Song; Li-Cun Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: m314 - m315
• a: 8.4046 ± 0.0015 Å
• b: 16.724 ± 0.003 Å
• c: 12.306 ± 0.002 Å
• α: 90°
• β: 106.737 ± 0.003°
• γ: 90°
• Cell volume: 1656.4 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1001
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes