Information card for entry 2226801

Structure parameters

• Chemical name: Diaquabis(selenocyanato-κ<i>N</i>)bis(pyrimidine-κ<i>N</i>)manganese(II)
• Formula: C10 H12 Mn N6 O2 Se2
• Calculated formula: C10 H12 Mn N6 O2 Se2
• SMILES: [Mn]([n]1cnccc1)([n]1cnccc1)([OH2])([OH2])(N=C=[Se])N=C=[Se]
• Title of publication: Diaquabis(selenocyanato-κ<i>N</i>)bis(pyrimidine-κ<i>N</i>)manganese(II)
• Authors of publication: Wriedt, Mario; Jess, Inke; Näther, Christian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: m1014 - m1015
• a: 9.2402 ± 0.0007 Å
• b: 9.6012 ± 0.0006 Å
• c: 10.2099 ± 0.0008 Å
• α: 90°
• β: 111.505 ± 0.008°
• γ: 90°
• Cell volume: 842.74 ± 0.12 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0317
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0617
• Weighted residual factors for all reflections included in the refinement: 0.0639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes