Information card for entry 2020881

Structure parameters

• Chemical name: Bis[μ-5-(3-phenylprop-2-enamido)-1<i>H</i>-1,2,3,4-tetrazol-1-ido]-κ^3^<i>N</i>^1^,<i>O</i>:<i>N</i>^2^;κ^3^<i>N</i>^2^:<i>N</i>^1^,<i>O</i>-bis{aqua[5-(3-phenylprop-2-enamido)-1<i>H</i>-1,2,3,4-tetrazol-1-ido-κ^2^<i>N</i>^1^,<i>O</i>]lead(II)}
• Formula: C40 H36 N20 O6 Pb2
• Calculated formula: C40 H36 N20 O6 Pb2
• SMILES: [Pb]12([OH2])([O]=C(/C=C/c3ccccc3)Nc3n1nnn3)[O]=C(/C=C/c1ccccc1)Nc1n2nnn1
• Title of publication: Manganese(II), lead(II) and cadmium(II) coordination complexes containing a tetrazole-based acylamide ligand: synthesis and the influence of the metal ions on the structures
• Authors of publication: Lin, Xiao-Ying; Zheng, Qin-Qin; Gong, Ling-Zhu; Liu, Ya-Min; Liu, Min-Yi; Liu, Xin-Zhong
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 2
• a: 9.1343 ± 0.0018 Å
• b: 14.26 ± 0.003 Å
• c: 16.985 ± 0.003 Å
• α: 90°
• β: 91.3 ± 0.03°
• γ: 90°
• Cell volume: 2211.8 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0353
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.0921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes