Information card for entry 2238112

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)ethene-κ^2^<i>N</i>:<i>N</i>'] 1,2-bis(pyridin-4-yl)ethene monosolvate]
• Formula: C28 H28 Mn N6 O2 Se2
• Calculated formula: C28 H28 Mn N6 O2 Se2
• SMILES: [Se]=C=N[Mn]([OH]C)([OH]C)(N=C=[Se])([n]1ccc(cc1)/C=C/c1ccncc1)[n]1ccc(cc1)/C=C/c1cc[n](cc1)[Mn]([OH]C)([OH]C)(N=C=[Se])N=C=[Se].n1ccc(cc1)/C=C/c1ccncc1.n1ccc(cc1)/C=C/c1ccncc1
• 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)ethene-κ^2^<i>N</i>:<i>N</i>'] 1,2-bis(pyridin-4-yl)ethene 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: 6
• Pages of publication: m319
• a: 7.358 ± 0.0006 Å
• b: 17.2445 ± 0.0011 Å
• c: 12.1219 ± 0.0009 Å
• α: 90°
• β: 92.63 ± 0.009°
• γ: 90°
• Cell volume: 1536.5 ± 0.2 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes