Information card for entry 2020882

Structure parameters

• Chemical name: Hexakis[μ~2~-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^]tricadmium(II)
• Formula: C60 H48 Cd3 N30 O6
• Calculated formula: C60 H48 Cd3 N30 O6
• SMILES: [Cd]12345[O]=C(/C=C/c6ccccc6)Nc6n3[n]([Cd]37([n]8n4c(nn8)NC(=[O]1)/C=C/c1ccccc1)([n]1n4[Cd]89([O]=C(/C=C/c%10ccccc%10)Nc4nn1)([O]=C(/C=C/c1ccccc1)Nc1n8[n]3nn1)[O]=C(Nc1n9[n]7nn1)/C=C/c1ccccc1)[n]1n5c(nn1)NC(/C=C/c1ccccc1)=[O]2)nn6
• 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: 20.035 ± 0.004 Å
• b: 13.401 ± 0.003 Å
• c: 25.119 ± 0.005 Å
• α: 90°
• β: 106.58 ± 0.03°
• γ: 90°
• Cell volume: 6464 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0642
• Weighted residual factors for all reflections included in the refinement: 0.0692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes