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Information card for entry 7215766
Preview
| Coordinates | 7215766.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H40 Br2 Cd N4 O12 |
|---|---|
| Calculated formula | C30 H40 Br2 Cd N4 O12 |
| Title of publication | Auxiliary ligand-controlled photochromism and decolourization of two bipyridinium-based metal‒organic hybrid materials with various water clusters |
| Authors of publication | Fu, Kai; Ren, Cai-Xia; Chen, Cheng; Cai, Li-Xuan; Tan, Bin; Zhang, Jie |
| Journal of publication | CrystEngComm |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 23 |
| Pages of publication | 5134 |
| a | 8.4362 ± 0.0005 Å |
| b | 10.7119 ± 0.0007 Å |
| c | 19.9504 ± 0.0017 Å |
| α | 94.185 ± 0.006° |
| β | 102.2 ± 0.006° |
| γ | 94.855 ± 0.005° |
| Cell volume | 1748.2 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0724 |
| Residual factor for significantly intense reflections | 0.058 |
| Weighted residual factors for significantly intense reflections | 0.1523 |
| Weighted residual factors for all reflections included in the refinement | 0.1614 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180488 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/57. |
7215766.cif |
| 116195 | 2014-06-07 | cif/ Updating files of 7215766, 7215767 Original log message: Adding full bibliography for 7215766--7215767.cif. |
7215766.cif |
| 112956 | 2014-05-07 | cif/ Adding structures of 7215766, 7215767 via cif-deposit CGI script. |
7215766.cif |
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Users of the data should acknowledge the original authors of the
structural data.