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Information card for entry 2020039
Preview
Coordinates | 2020039.cif |
---|---|
Structure factors | 2020039.hkl |
Original IUCr paper | HTML |
Chemical name | Di-μ-acetato-κ^4^<i>O</i>:<i>O</i>'-bis[(4-aminobenzoato-κ^2^<i>O</i>,<i>O</i>')(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cadmium(II)] |
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Formula | C38 H34 Cd2 N6 O8 |
Calculated formula | C38 H34 Cd2 N6 O8 |
SMILES | [Cd]123([n]4c(c5[n]1cccc5)cccc4)([O]=C(O2)c1ccc(N)cc1)[O]=C(O[Cd]12([n]4ccccc4c4[n]1cccc4)([O]=C(O2)c1ccc(N)cc1)[O]=C(O3)C)C |
Title of publication | Synthesis and crystal structures of two coordination polymers and a binuclear cadmium(II) complex containing 3- and 4-aminobenzoate ligands |
Authors of publication | Zhou, Dong-Mei; Zhao, Xiao-Lan; Liu, Feng-Yi; Kou, Jun-Feng |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2015 |
Journal volume | 71 |
Journal issue | 8 |
a | 21.143 ± 0.004 Å |
b | 8.0696 ± 0.0016 Å |
c | 21.473 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3663.6 ± 1.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.0372 |
Residual factor for significantly intense reflections | 0.0304 |
Weighted residual factors for significantly intense reflections | 0.0661 |
Weighted residual factors for all reflections included in the refinement | 0.0683 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
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/2020039.html
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Users of the data should acknowledge the original authors of the
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