Information card for entry 2236042

Structure parameters

• Chemical name: Diaquabis[2,6-bis(4<i>H</i>-1,2,4-triazol-4-yl)pyridine- κ<i>N</i>^2^]bis(selenocyanato-κ<i>N</i>)cobalt(II)
• Formula: C20 H18 Co N16 O2 Se2
• Calculated formula: C20 H18 Co N16 O2 Se2
• SMILES: c1n(c[n](n1)[Co](N=C=[Se])([n]1cn(cn1)c1cccc(n1)n1cnnc1)(N=C=[Se])([OH2])[OH2])c1cccc(n1)n1cnnc1
• Title of publication: Diaquabis[2,6-bis(4<i>H</i>-1,2,4-triazol-4-yl)pyridine-κ<i>N</i>^2^]bis(selenocyanato-κ<i>N</i>)cobalt(II)
• Authors of publication: Liu, Yuan-Yuan; Yang, Pan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: m1097 - m1098
• a: 17.546 ± 0.0016 Å
• b: 7.2752 ± 0.0007 Å
• c: 20.3148 ± 0.0019 Å
• α: 90°
• β: 95.691 ± 0.002°
• γ: 90°
• Cell volume: 2580.4 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.029
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.0654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes