Information card for entry 1563043

Structure parameters

• Formula: C14 H14 N12 O6 Zn
• Calculated formula: C14 H14 N12 O6 Zn
• SMILES: [Zn]1(OC(=O)Cn2nc(c3ncc[n](c3)[Zn]([OH2])([OH2])OC(=O)Cn3nc(c4ncc[n]1c4)nn3)nn2)([OH2])(OC(=O)Cn1nc(c2nccnc2)nn1)([OH2])[n]1ccnc(c1)c1nn(nn1)CC(=O)[O-]
• Title of publication: A set of new transition metal-based coordination complexes dependent upon Hpztza ligand (Hpztza=2-(5-(pyrazin-2-yl)-2H-tetrazol-2-yl) acetic acid)
• Authors of publication: Yang, Jie; Shen, Lei; Yang, Gao-Wen; Li, Qiao-Yun; Shen, Wei; Jin, Jian-Ning; Zhao, Jing-Jing; Dai, Jian
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2012
• Journal volume: 186
• Pages of publication: 124 - 133
• a: 7.3993 ± 0.0015 Å
• b: 7.9352 ± 0.0016 Å
• c: 9.1366 ± 0.0018 Å
• α: 93.16 ± 0.03°
• β: 97.93 ± 0.03°
• γ: 114.13 ± 0.03°
• Cell volume: 481.2 ± 0.2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0554
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.1319
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No