Information card for entry 2220850

Structure parameters

• Chemical name: (Ethylenediamine-κ^2^<i>N</i>,<i>N</i>')bis[3-(2-pyridyl)-5-(4-pyridyl)-1,2,4- triazolato-κ^2^<i>N</i>^2^,<i>N</i>^3^]zinc(II) methanol solvate dihydrate
• Formula: C27 H32 N12 O3 Zn
• Calculated formula: C27 H32 N12 O3 Zn
• SMILES: [Zn]123([n]4ccccc4c4n1nc(c1ccncc1)n4)([n]1ccccc1c1n2nc(c2ccncc2)n1)[NH2]CC[NH2]3.CO.O.O
• Title of publication: (Ethylenediamine-κ^2^<i>N</i>,<i>N</i>')bis[3-(2-pyridyl)-5-(4-pyridyl)-1,2,4-triazolato-κ^2^<i>N</i>^2^,<i>N</i>^3^]zinc(II) methanol solvate dihydrate
• Authors of publication: Cheng, Lin; Sun, Yan-Yan; Zhang, Ya-Wen; Wang, Jian-Quan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: m206
• a: 8.3323 ± 0.0008 Å
• b: 13.0268 ± 0.0012 Å
• c: 14.9444 ± 0.0014 Å
• α: 66.404 ± 0.002°
• β: 79.751 ± 0.002°
• γ: 81.437 ± 0.002°
• Cell volume: 1457.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0696
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1303
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes