Information card for entry 2212770

Structure parameters

• Chemical name: catena-poly[[trans-bis[3-(1H-imidazol-1-yl)-1-phenylpropan-1-one- κN]manganese(II)]-di-μ-thiocyanato-κ^2^N:S,κ^2^S:N]
• Formula: C26 H24 Mn N6 O2 S2
• Calculated formula: C26 H24 Mn N6 O2 S2
• SMILES: [Mn]([n]1cn(cc1)CCC(=O)c1ccccc1)([n]1cn(cc1)CCC(=O)c1ccccc1)(N=C=S)N=C=S
• Title of publication: <i>catena</i>-poly[[<i>trans</i>-bis[3-(1<i>H</i>-imidazol-1-yl)-1-phenylpropan-1-one-κ<i>N</i>]manganese(II)]-di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>]
• Authors of publication: Cai, Hua; Guo, Ying; Li, Yan; Li, Jian-Gang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: m936 - m938
• a: 5.8006 ± 0.0007 Å
• b: 8.7767 ± 0.0011 Å
• c: 13.0427 ± 0.0016 Å
• α: 87.922 ± 0.002°
• β: 84.784 ± 0.002°
• γ: 74.73 ± 0.002°
• Cell volume: 637.86 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes