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Information card for entry 8000085
Preview
| Coordinates | 8000085.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H31 N4 O3 Re |
|---|---|
| Calculated formula | C48 H31 N4 O3 Re |
| SMILES | [Re]12([n]3c4C(=c5n(c(=C(c6[n]2c(=C(c2n1c(C(=c3cc4)c1ccccc1)cc2)c1ccccc1)cc6)c1ccccc1)cc5)C)c1ccccc1)(C#[O])(C#[O])C#[O] |
| Title of publication | Rhenium Complexes of N-Methyl N-Confused Tetraphenylporphyrin and Its Normal Isomer |
| Authors of publication | Toganoh, Motoki; Furuta, Hiroyuki |
| Journal of publication | Chemistry Letters |
| Year of publication | 2005 |
| Journal volume | 34 |
| Journal issue | 7 |
| Pages of publication | 1034 |
| a | 14.3952 ± 0.0007 Å |
| b | 14.792 ± 0.0007 Å |
| c | 18.0256 ± 0.0009 Å |
| α | 90° |
| β | 98.52 ± 0.0001° |
| γ | 90° |
| Cell volume | 3795.9 ± 0.3 Å3 |
| Cell temperature | 223 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for significantly intense reflections | 0.029 |
| Weighted residual factors for all reflections included in the refinement | 0.034 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.231 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176466 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8000085.cif |
| 94242 | 2014-01-22 | cif/ Adding structures of 8000085 via cif-deposit CGI script. |
8000085.cif |
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Users of the data should acknowledge the original authors of the
structural data.