Information card for entry 2233185

Structure parameters

• Chemical name: Tetrakis(1-allyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)bis(thiocyanato- κ<i>N</i>)manganese(II)
• Formula: C26 H32 Mn N10 S2
• Calculated formula: C26 H32 Mn N10 S2
• SMILES: C=CCn1cc[n](c1)[Mn]([n]1ccn(CC=C)c1)(N=C=S)([n]1ccn(CC=C)c1)([n]1ccn(CC=C)c1)N=C=S
• Title of publication: Tetrakis(1-allyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)bis(thiocyanato-κ<i>N</i>)manganese(II)
• Authors of publication: Zhao, Juan; Jin, Yan-Ling
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: m9
• a: 24.564 ± 0.005 Å
• b: 7.22 ± 0.0014 Å
• c: 21.287 ± 0.004 Å
• α: 90°
• β: 125.04 ± 0.03°
• γ: 90°
• Cell volume: 3091 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1118
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.132
• Weighted residual factors for all reflections included in the refinement: 0.1615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes