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Information card for entry 4340527
Preview
| Coordinates | 4340527.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C77 H65 Cl Cu2 N2 O P4 S |
|---|---|
| Calculated formula | C77 H65 Cl Cu2 N2 O P4 S |
| SMILES | Cl[Cu](Sc1[n](c(=O)cc(C)[nH]1)[Cu]([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)([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 | 13.243 ± 0.003 Å |
| b | 13.812 ± 0.003 Å |
| c | 21.616 ± 0.005 Å |
| α | 97.44 ± 0.02° |
| β | 101.59 ± 0.03° |
| γ | 114.01 ± 0.03° |
| Cell volume | 3438.1 ± 1.8 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0589 |
| Residual factor for significantly intense reflections | 0.0439 |
| Weighted residual factors for significantly intense reflections | 0.1243 |
| Weighted residual factors for all reflections included in the refinement | 0.1349 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.113 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| 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. |
4340527.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. |
4340527.cif |
| 120832 | 2014-07-29 | cif/ Adding structures of 4340527 via cif-deposit CGI script. |
4340527.cif |
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