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Information card for entry 4003181
Preview
| Coordinates | 4003181.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H44 Cu2 I2 N8 O2 |
|---|---|
| Calculated formula | C54 H44 Cu2 I2 N8 O2 |
| Title of publication | Stable Multiresponsive Luminescent MOF for Colorimetric Detection of Small Molecules in Selective and Reversible Manner |
| Authors of publication | Khatua, Sajal; Goswami, Soumyabrata; Biswas, Soumava; Tomar, Kapil; Jena, Himanshu Sekhar; Konar, Sanjit |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2015 |
| Journal volume | 27 |
| Journal issue | 15 |
| Pages of publication | 5349 |
| a | 12.5823 ± 0.0008 Å |
| b | 13.544 ± 0.0008 Å |
| c | 17.5152 ± 0.0011 Å |
| α | 68.665 ± 0.002° |
| β | 89.462 ± 0.002° |
| γ | 64.914 ± 0.002° |
| Cell volume | 2480.6 ± 0.3 Å3 |
| Cell temperature | 140 ± 2 K |
| Ambient diffraction temperature | 140 ± 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 | 0.0384 |
| Residual factor for significantly intense reflections | 0.0342 |
| Weighted residual factors for significantly intense reflections | 0.103 |
| Weighted residual factors for all reflections included in the refinement | 0.1063 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 231414 (current) | 2019-11-22 | cif/ Adding structures of 4003181 via cif-deposit CGI script. |
4003181.cif |
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Users of the data should acknowledge the original authors of the
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