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Information card for entry 4001673
Preview
| Coordinates | 4001673.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Common name | 3pmntb |
|---|---|
| Formula | C42 H42 N10 O3 |
| Calculated formula | C42 H42 N10 O3 |
| SMILES | N(Cc1nc2ccccc2n1Cc1cnccc1)(Cc1nc2ccccc2n1Cc1cccnc1)Cc1nc2ccccc2n1Cc1cnccc1.O.O.O |
| Title of publication | Dual-Emission from a Single-Phase Eu‒Ag Metal‒Organic Framework: An Alternative Way to Get White-Light Phosphor |
| Authors of publication | Liu, Yu; Pan, Mei; Yang, Qing-Yuan; Fu, Lei; Li, Kang; Wei, Shi-Chao; Su, Cheng-Yong |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2012 |
| Journal volume | 24 |
| Journal issue | 10 |
| Pages of publication | 1954 |
| a | 10.8124 ± 0.0005 Å |
| b | 11.2603 ± 0.0004 Å |
| c | 17.2799 ± 0.0007 Å |
| α | 100.994 ± 0.003° |
| β | 95.756 ± 0.004° |
| γ | 116.213 ± 0.004° |
| Cell volume | 1811.71 ± 0.15 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0859 |
| Residual factor for significantly intense reflections | 0.0459 |
| Weighted residual factors for significantly intense reflections | 0.0906 |
| Weighted residual factors for all reflections included in the refinement | 0.0988 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.91 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201982 (current) | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4001673.cif |
| 178377 | 2016-03-21 | cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00. |
4001673.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4001673.cif |
| 71980 | 2013-01-21 | cif/ Adding structures of 4001673, 4001674, 4001675, 4001676 via cif-deposit CGI script. |
4001673.cif |
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Users of the data should acknowledge the original authors of the
structural data.