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Information card for entry 7055809
Preview
| Coordinates | 7055809.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | copper(I) thiocyanate complex of tris(2pyridyl)phosphine oxide |
|---|---|
| Formula | C64 H48 Cu4 N16 O4 P4 S4 |
| Calculated formula | C64 H48 Cu4 N16 O4 P4 S4 |
| SMILES | [Cu]12(N=C=S)[n]3c(P(=O)(c4[n]1cccc4)c1[n]2cccc1)cccc3.[Cu]12([n]3ccccc3P(=O)(c3[n]1cccc3)c1[n]2cccc1)N=C=S.[Cu]12(SC#[N][Cu]3(SC#[N]2)[n]2c(P(=O)(c4[n]3cccc4)c3ncccc3)cccc2)[n]2ccccc2P(=O)(c2[n]1cccc2)c1ncccc1 |
| Title of publication | Luminescent CuI thiocyanate complexes based on tris(2-pyridyl)phosphine and its oxide: from mono-, di- and trinuclear species to coordination polymers |
| Authors of publication | Artem’ev, Alexander V.; Doronina, Evgeniya P.; Rakhmanova, Marianna I.; Sutyrina, Anastasiya O.; Bagryanskaya, Irina Yu.; Tolstoy, Peter M.; Gushchin, Artem L.; Mazur, Anton S.; Gusarova, Nina K.; Trofimov, Boris A. |
| Journal of publication | New J. Chem. |
| Year of publication | 2016 |
| Journal volume | 40 |
| Journal issue | 12 |
| Pages of publication | 10028 |
| a | 25.1513 ± 0.0011 Å |
| b | 8.2531 ± 0.0004 Å |
| c | 33.3853 ± 0.0015 Å |
| α | 90° |
| β | 109.333 ± 0.001° |
| γ | 90° |
| Cell volume | 6539.2 ± 0.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/c 1 |
| Hall space group symbol | -P 2yc |
| Residual factor for all reflections | 0.0548 |
| Residual factor for significantly intense reflections | 0.0375 |
| Weighted residual factors for significantly intense reflections | 0.0751 |
| Weighted residual factors for all reflections included in the refinement | 0.0806 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 190238 (current) | 2017-01-09 | cif/ Updating files of 7055807, 7055808, 7055809, 7055810, 7055811 Original log message: Adding full bibliography for 7055807--7055811.cif. |
7055809.cif |
| 187012 | 2016-10-07 | cif/ Adding structures of 7055807, 7055808, 7055809, 7055810, 7055811 via cif-deposit CGI script. |
7055809.cif |
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