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Information card for entry 4340530
Preview
| Coordinates | 4340530.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C41 H36 Br Cu N2 O P2 S |
|---|---|
| Calculated formula | C41 H36 Br Cu N2 O P2 S |
| SMILES | [Cu](Br)([S]=C1NC(=CC(=O)N1)C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Mono- and binuclear copper(i) complexes of thionucleotide analogues and their catalytic activity on the synthesis of dihydrofurans. |
| Authors of publication | Charalampou, D. C.; Kourkoumelis, N.; Karanestora, S.; Hadjiarapoglou, L. P.; Dokorou, V.; Skoulika, S.; Owczarzak, A.; Kubicki, M.; Hadjikakou, S. K. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 16 |
| Pages of publication | 8322 - 8333 |
| a | 24.766 ± 0.004 Å |
| b | 10.94 ± 0.002 Å |
| c | 54.536 ± 0.006 Å |
| α | 90° |
| β | 91.85 ± 0.02° |
| γ | 90° |
| Cell volume | 14768 ± 4 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 1 K |
| Number of distinct elements | 8 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1817 |
| Residual factor for significantly intense reflections | 0.1567 |
| Weighted residual factors for significantly intense reflections | 0.2868 |
| Weighted residual factors for all reflections included in the refinement | 0.2909 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.462 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179508 (current) | 2016-03-23 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/05. |
4340530.cif |
| 122895 | 2014-09-06 | cif/ Updating files of 4340525, 4340526, 4340527, 4340528, 4340529, 4340530 Original log message: Adding full bibliography for 4340525--4340530.cif. |
4340530.cif |
| 120835 | 2014-07-29 | cif/ Adding structures of 4340530 via cif-deposit CGI script. |
4340530.cif |
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Users of the data should acknowledge the original authors of the
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