Information card for entry 2209591

Structure parameters

• Chemical name: Diaquabis(dicyanamido)bis[4-(2-pyridyl)-4H-1,2,4-triazole-κN^1^]cobalt(II)
• Formula: C18 H16 Co N14 O2
• Calculated formula: C18 H16 Co N14 O2
• SMILES: C(=N[Co](N=C=NC#N)([n]1ncn(c1)c1ccccn1)([n]1cn(cn1)c1ccccn1)([OH2])[OH2])=NC#N
• Title of publication: Diaquabis(dicyanamido)bis[4-(2-pyridyl)-4<i>H</i>-1,2,4-triazole-κ<i>N</i>^1^]cobalt(II)
• Authors of publication: Yu-Hong Ma; Pi-Zhuang Ma; Huan-Qin Zhu; Chang-Cheng Liu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: m1479 - m1481
• a: 5.8684 ± 0.0017 Å
• b: 7.661 ± 0.002 Å
• c: 11.716 ± 0.004 Å
• α: 89.794 ± 0.005°
• β: 88.512 ± 0.005°
• γ: 85.991 ± 0.005°
• Cell volume: 525.3 ± 0.3 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.031
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.0696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes