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Information card for entry 7055808
Preview
| Coordinates | 7055808.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | copper(I) thiocyanate complex of tris(2pyridyl)phosphine oxide |
|---|---|
| Formula | C32 H24 Cu2 N8 O2 P2 S2 |
| Calculated formula | C32 H24 Cu2 N8 O2 P2 S2 |
| SMILES | c1cccc2[n]1[Cu]1([n]3c(P2(=O)c2ccccn2)cccc3)SC#[N][Cu]2([n]3ccccc3P(=O)(c3ccccn3)c3[n]2cccc3)SC#[N]1 |
| 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 | 8.3784 ± 0.0008 Å |
| b | 9.0242 ± 0.0008 Å |
| c | 13.1937 ± 0.0011 Å |
| α | 71.147 ± 0.003° |
| β | 78.454 ± 0.003° |
| γ | 65.128 ± 0.003° |
| Cell volume | 854.08 ± 0.13 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1003 |
| Residual factor for significantly intense reflections | 0.0921 |
| Weighted residual factors for significantly intense reflections | 0.3304 |
| Weighted residual factors for all reflections included in the refinement | 0.334 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.21 |
| 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. |
7055808.cif |
| 187012 | 2016-10-07 | cif/ Adding structures of 7055807, 7055808, 7055809, 7055810, 7055811 via cif-deposit CGI script. |
7055808.cif |
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