Information card for entry 7218079
| Formula |
C28 H40 Cu N5 O7 |
| Calculated formula |
C28 H32 Cu N5 O7 |
| Title of publication |
A new 3D four-fold interpenetrateddia-like polymer: gas sorption and computational analyses |
| Authors of publication |
Wu, Jian; Liu, Jian-Qiang; Jia, Zhen-Bin; Li, Qing-Lin; Li, Kai-Bang; Li, Hao; Daiguebonne, Carole; Calvez, Guillaume; Guillou, Olivier |
| Journal of publication |
CrystEngComm |
| Year of publication |
2014 |
| Journal volume |
16 |
| Journal issue |
45 |
| Pages of publication |
10410 |
| a |
16.417 ± 0.002 Å |
| b |
16.417 ± 0.002 Å |
| c |
6.598 ± 0.002 Å |
| α |
90° |
| β |
90° |
| γ |
90° |
| Cell volume |
1778.3 ± 0.6 Å3 |
| Cell temperature |
298 ± 2 K |
| Ambient diffraction temperature |
298 ± 2 K |
| Number of distinct elements |
5 |
| Space group number |
85 |
| Hermann-Mauguin space group symbol |
P 4/n :2 |
| Hall space group symbol |
-P 4a |
| Residual factor for all reflections |
0.1116 |
| Residual factor for significantly intense reflections |
0.0482 |
| Weighted residual factors for significantly intense reflections |
0.0823 |
| Weighted residual factors for all reflections included in the refinement |
0.0987 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.008 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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https://www.crystallography.net/7218079.html
