Information card for entry 2215613

Structure parameters

• Chemical name: Bis(4,6-dimethyl-2-pyrimidinethiolato-κ^2^<i>N</i>,<i>S</i>)-\ bis(methanol-κ<i>O</i>)manganese(II)
• Formula: C14 H22 Mn N4 O2 S2
• Calculated formula: C14 H22 Mn N4 O2 S2
• SMILES: c12nc(C)cc(C)[n]2[Mn]2(S1)([n]1c(nc(C)cc1C)S2)([OH]C)[OH]C
• Title of publication: Bis(4,6-dimethyl-2-pyrimidinethiolato-κ^2^<i>N</i>,<i>S</i>)bis(methanol-κ<i>O</i>)manganese(II)
• Authors of publication: Li, Hai-Yan; Li, Hong-Xi; Tang, Xiao-Yan; Chen, Yang; Lang, Jian-Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: m2486 - m2487
• a: 15.15 ± 0.003 Å
• b: 8.6713 ± 0.0017 Å
• c: 13.89 ± 0.003 Å
• α: 90°
• β: 99.31 ± 0.03°
• γ: 90°
• Cell volume: 1800.7 ± 0.7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• 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: 0.0334
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections included in the refinement: 0.071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes