Information card for entry 2237602

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[bis(methanol-κ<i>O</i>)bis(selenocyanato-κ<i>N</i>)manganese(II)]-μ-1,2-bis(pyridin-4-yl)ethane-κ^2^<i>N</i>:<i>N</i>'] 1,2-bis(pyridin-4-yl)ethane monosolvate]
• Formula: C28 H32 Mn N6 O2 Se2
• Calculated formula: C28 H32 Mn N6 O2 Se2
• SMILES: [Se]=C=N[Mn]([OH]C)([OH]C)(N=C=[Se])[n]1ccc(cc1)CCc1cc[n](cc1)[Mn]([OH]C)([OH]C)(N=C=[Se])(N=C=[Se])[n]2ccc(cc2)CCc2cc[n]cc2.n1ccc(cc1)CCc1ccncc1.n1ccc(cc1)CCc1ccncc1
• Title of publication: <i>catena</i>-Poly[[[bis(methanol-κ<i>O</i>)bis(selenocyanato-κ<i>N</i>)manganese(II)]-μ-1,2-bis(pyridin-4-yl)ethane-κ^2^<i>N</i>:<i>N</i>'] 1,2-bis(pyridin-4-yl)ethane monosolvate]
• Authors of publication: Wöhlert, Susanne; Jess, Inke; Näther, Christian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 4
• Pages of publication: m223
• a: 19.184 ± 0.001 Å
• b: 9.7854 ± 0.0004 Å
• c: 17.3468 ± 0.0009 Å
• α: 90°
• β: 108.624 ± 0.004°
• γ: 90°
• Cell volume: 3085.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0529
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.0938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes