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Information card for entry 7008282
Preview
| Coordinates | 7008282.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C19 H24 N4 O3 |
|---|---|
| Calculated formula | C19 H24 N4 O3 |
| SMILES | n1c(cc(cc1)C)c1nccc(c1)C(=O)NCCNC(=O)OC(C)(C)C |
| Title of publication | Metal-to-ligand charge-transfer sensitisation of near-infrared emitting lanthanides in trimetallic arrays M2Ln (M=Ru, Re or Os; Ln=Nd, Er or Yb). |
| Authors of publication | Pope, Simon J. A.; Coe, Benjamin J.; Faulkner, Stephen; Laye, Rebecca H. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2005 |
| Journal issue | 8 |
| Pages of publication | 1482 - 1490 |
| a | 5.0564 ± 0.0015 Å |
| b | 5.6297 ± 0.0018 Å |
| c | 16.199 ± 0.005 Å |
| α | 87.396 ± 0.005° |
| β | 83.943 ± 0.005° |
| γ | 84.685 ± 0.006° |
| Cell volume | 456.3 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0895 |
| Residual factor for significantly intense reflections | 0.0716 |
| Weighted residual factors for significantly intense reflections | 0.1804 |
| Weighted residual factors for all reflections included in the refinement | 0.2006 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301846 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/00/ Each referenced PubChem compound corresponds to the full crystal structure. |
7008282.cif |
| 202017 | 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. |
7008282.cif |
| 179786 | 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 7/00/82. |
7008282.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7008282.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7008282.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7008282.cif |
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Users of the data should acknowledge the original authors of the
structural data.