Information card for entry 2234677

Structure parameters

• Chemical name: Diaquabis[5-(pyrazin-2-yl-κ<i>N</i>^1^)-3-(pyridin-4-yl)-1<i>H</i>-1,2,4- triazol-1-ido-κ<i>N</i>^1^]cobalt(II) methanol disolvate
• Formula: C24 H26 Co N12 O4
• Calculated formula: C24 H26 Co N12 O4
• SMILES: c1(c2ccncc2)nn2[Co]3([n]4ccncc4c2n1)([n]1ccncc1c1n3nc(c2ccncc2)n1)([OH2])[OH2].OC.OC
• Title of publication: Diaquabis[5-(pyrazin-2-yl-κ<i>N</i>^1^)-3-(pyridin-4-yl)-1<i>H</i>-1,2,4-triazol-1-ido-κ<i>N</i>^1^]cobalt(II) methanol disolvate
• Authors of publication: Bi, Yan; Wu, Na; Chen, Jing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: m600
• a: 11.462 ± 0.009 Å
• b: 7.121 ± 0.005 Å
• c: 16.116 ± 0.012 Å
• α: 90°
• β: 95.418 ± 0.014°
• γ: 90°
• Cell volume: 1309.5 ± 1.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0632
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes