Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7001920
Preview
| Coordinates | 7001920.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C14 H10 N2 O2 |
|---|---|
| Calculated formula | C14 H10 N2 O2 |
| SMILES | n1ccc(cc1)CN1C(=O)c2ccccc2C1=O |
| Title of publication | The coordination chemistry of fluorescent pyridinyl‒ and quinolinyl‒phthalimide ligands with the {AuI‒PPh3} cationic unit |
| Authors of publication | Mullice, Lucy A.; Thorp-Greenwood, Flora L.; Laye, Rebecca H.; Coogan, Michael P.; Kariuki, Benson M.; Pope, Simon J.A. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2009 |
| Journal issue | 34 |
| Pages of publication | 6836 - 6842 |
| a | 8.6402 ± 0.0006 Å |
| b | 5.3085 ± 0.0004 Å |
| c | 24.4905 ± 0.0016 Å |
| α | 90° |
| β | 97.66 ± 0.005° |
| γ | 90° |
| Cell volume | 1113.27 ± 0.14 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0641 |
| Residual factor for significantly intense reflections | 0.0439 |
| Weighted residual factors for significantly intense reflections | 0.0955 |
| Weighted residual factors for all reflections included in the refinement | 0.1042 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202017 (current) | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7001920.cif |
| 179717 | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/19. |
7001920.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7001920.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7001920.cif |
| 1143 | 2010-05-03 | cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition. |
7001920.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.