Information card for entry 4500651
| Formula |
C40 H26 Cu3 N12 O18 |
| Calculated formula |
C40 H26 Cu3 N12 O18 |
| Title of publication |
pH Dependent Structural Diversity of Metal Complexes with 5-(4H-1,2,4-Triazol-4-yl)benzene-1,3-dicarboxylic Acid |
| Authors of publication |
Chen, Min; Chen, Shui-Sheng; Okamura, Taka-aki; Su, Zhi; Chen, Man-Sheng; Zhao, Yue; Sun, Wei-Yin; Ueyama, Norikazu |
| Journal of publication |
Crystal Growth & Design |
| Year of publication |
2011 |
| Journal volume |
11 |
| Journal issue |
5 |
| Pages of publication |
1901 |
| a |
6.709 ± 0.002 Å |
| b |
11.932 ± 0.005 Å |
| c |
12.869 ± 0.004 Å |
| α |
107.062 ± 0.013° |
| β |
95.121 ± 0.012° |
| γ |
100.054 ± 0.014° |
| Cell volume |
958.9 ± 0.6 Å3 |
| Cell temperature |
200 K |
| Ambient diffraction temperature |
200 K |
| Number of distinct elements |
5 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0325 |
| Residual factor for significantly intense reflections |
0.0297 |
| Weighted residual factors for significantly intense reflections |
0.0747 |
| Weighted residual factors for all reflections included in the refinement |
0.0759 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.113 |
| Diffraction radiation wavelength |
0.71075 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/4500651.html
