Information card for entry 2202375

Structure parameters

• Chemical name: Dithiocyanatebis(4,4'-methylenebis(3,5-dimethylpyrazole))manganese(II)
• Formula: C24 H32 Mn N10 S2
• Calculated formula: C24 H32 Mn N10 S2
• SMILES: [Mn]1(N=C=S)(N=C=S)[n]2[nH]c(C)c(c2C)Cc2c(C)[n]([nH]c2C)[Mn]([n]2[nH]c(c(c2C)Cc2c(n[nH]c2C)C)C)([n]2[nH]c(c(c2C)Cc2c(n[nH]c2C)C)C)([n]2[nH]c(c(Cc3c([n]1[nH]c3C)C)c2C)C)(N=C=S)N=C=S
• Title of publication: <i>catena</i>-Poly[[dithiocyanatomanganese(II)]-di-μ-4,4'-methylenebis(3,5-dimethylpyrazole)]
• Authors of publication: Han, Wei; Li, Ling; Gu, Wen; Liu, Zhan-Quan; Yan, Shi-Ping; Cheng, Peng; Liao, Dai-Zheng; Jiang, Zong-Hui; Shen, Pan-Wen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 11
• Pages of publication: m980 - m981
• a: 21.258 ± 0.01 Å
• b: 9.723 ± 0.004 Å
• c: 17.253 ± 0.007 Å
• α: 90°
• β: 126.61 ± 0.014°
• γ: 90°
• Cell volume: 2863 ± 2 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: 0.0781
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes