Information card for entry 2235974

Structure parameters

• Chemical name: <i>catena</i>-Poly[[(2-{[2-(dimethylammonio)ethyl]iminomethyl}pyridine- κ^2^<i>N</i>,<i>N</i>')bis(thiocyanato-κ<i>N</i>)manganese(II)]- μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>]
• Formula: C13 H16 Mn N6 S3
• Calculated formula: C13 H16 Mn N6 S3
• SMILES: c1cccc2C=[N](CC[NH+](C)C)[Mn](N=C=S)([n]12)(N=C=S)N=C=S
• Title of publication: <i>catena</i>-Poly[[(2-{[2-(dimethylammonio)ethyl]iminomethyl}pyridine-κ^2^<i>N</i>,<i>N</i>')bis(thiocyanato-κ<i>N</i>)manganese(II)]-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>]
• Authors of publication: Wang, Jun; Zhu, Wubiao; Li, Jichang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: m1131
• a: 8.5603 ± 0.0012 Å
• b: 11.0699 ± 0.0015 Å
• c: 37.346 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3539 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0771
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes