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Information card for entry 7002633
Preview
| Coordinates | 7002633.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C11 H14 N4 O5 |
|---|---|
| Calculated formula | C11 H14 N4 O5 |
| SMILES | N1(C)C(=O)NC(=O)C(=C1)CC1C(=O)NC(=O)N(C)C=1.O |
| Title of publication | Hybrids between classical and metallacalix[4]arenes based on uracil and cis-PtIIL2 entities (L = P(Ph)3 or L2 = 2,2′-bipyridine) |
| Authors of publication | Das, Neeladri; Sanz Miguel, Pablo J.; Khutia, Anupam; Lazar, Martina; Lippert, Bernhard |
| Journal of publication | Dalton Transactions |
| Year of publication | 2009 |
| Journal issue | 42 |
| Pages of publication | 9120 |
| a | 7.696 ± 0.0015 Å |
| b | 8.356 ± 0.0017 Å |
| c | 10.801 ± 0.002 Å |
| α | 101.54 ± 0.03° |
| β | 90.19 ± 0.03° |
| γ | 112.92 ± 0.03° |
| Cell volume | 624.3 ± 0.3 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 | 0.2041 |
| Residual factor for significantly intense reflections | 0.0661 |
| Weighted residual factors for significantly intense reflections | 0.1201 |
| Weighted residual factors for all reflections included in the refinement | 0.1572 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.961 |
| 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. |
7002633.cif |
| 179730 | 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 7/00/26. |
7002633.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7002633.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7002633.cif |
| 1143 | 2010-05-03 | cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition. |
7002633.cif |
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