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Information card for entry 2020882
Preview
Coordinates | 2020882.cif |
---|---|
Structure factors | 2020882.hkl |
Original IUCr paper | HTML |
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) |
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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 Å3 |
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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2020882.html
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