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Information card for entry 1542825
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| Coordinates | 1542825.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 1,3,6,8-tetrakis(2,6-dimethyl-4-(?-carboxy)methoxyphenyl)pyrene |
|---|---|
| Formula | C65 H67 Mn2 N3 O17 |
| Calculated formula | C65 H67 Mn2 N3 O17 |
| Title of publication | A fluorescent paramagnetic Mn metal‒organic framework based on semi-rigid pyrene tetracarboxylic acid: sensing of solvent polarity and explosive nitroaromatics |
| Authors of publication | Bajpai, Alankriti; Mukhopadhyay, Arindam; Krishna, Manchugondanahalli Shivakumar; Govardhan, Savitha; Moorthy, Jarugu Narasimha |
| Journal of publication | IUCrJ |
| Year of publication | 2015 |
| Journal volume | 2 |
| Journal issue | 5 |
| Pages of publication | 552 - 562 |
| a | 19.6786 ± 0.0011 Å |
| b | 22.7703 ± 0.0013 Å |
| c | 14.8344 ± 0.0009 Å |
| α | 90° |
| β | 104.147 ± 0.001° |
| γ | 90° |
| Cell volume | 6445.5 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1754 |
| Residual factor for significantly intense reflections | 0.1062 |
| Weighted residual factors for significantly intense reflections | 0.278 |
| Weighted residual factors for all reflections included in the refinement | 0.3136 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178182 (current) | 2016-03-13 | cif/ Adding structures of 1542825 via cif-deposit CGI script. |
1542825.cif |
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