Information card for entry 7033014

Structure parameters

• Formula: C16 H22 N16 O14 S2 Zn3
• Calculated formula: C16 H22 N16 O14 S2 Zn3
• SMILES: [Zn]12([n]3c[nH]nc3c3n1nc1c4cncc[n]4[Zn]([n]31)(OS(=O)(=O)[O-])([OH2])[OH2])([n]1c[nH]nc1c1n2nc2c3cncc[n]3[Zn]([n]12)(OS(=O)(=O)[O-])([OH2])[OH2])([OH2])[OH2]
• Title of publication: Structural diversity of five new bitriazole-based complexes: luminescence, sorption, and magnetic properties.
• Authors of publication: Du, Li-Yun; Wang, Hui; Liu, Ge; Xie, Dong; Guo, Fu-Sheng; Hou, Lei; Wang, Yao-Yu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 3
• Pages of publication: 1110 - 1119
• a: 7.4092 ± 0.0019 Å
• b: 26.697 ± 0.006 Å
• c: 10.1452 ± 0.0019 Å
• α: 90°
• β: 130.725 ± 0.012°
• γ: 90°
• Cell volume: 1520.8 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1007
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.134
• Weighted residual factors for all reflections included in the refinement: 0.2001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No