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Information card for entry 4341109
Preview
| Coordinates | 4341109.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C84 H68 Ag2 Cu2 N4 P4 |
|---|---|
| Calculated formula | C84 H68 Ag2 Cu2 N4 P4 |
| SMILES | [Ag]12[Cu](n3c([P]1(c1ccccc1)c1ccccc1)c(c1ccccc31)C)n1c(c(c3ccccc13)C)[P](c1ccccc1)(c1ccccc1)[Ag]1[Cu](n3c([P]1(c1ccccc1)c1ccccc1)c(c1ccccc13)C)n1c([P]2(c2ccccc2)c2ccccc2)c(c2ccccc12)C |
| Title of publication | Shedding light on the photochemistry of coinage-metal phosphorescent materials: a time-resolved laue diffraction study of an ag(i)-cu(i) tetranuclear complex. |
| Authors of publication | Jarzembska, Katarzyna N.; Kamiński, Radosław; Fournier, Bertrand; Trzop, Elżbieta; Sokolow, Jesse D.; Henning, Robert; Chen, Yang; Coppens, Philip |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 19 |
| Pages of publication | 10594 - 10601 |
| a | 12.6106 ± 0.0002 Å |
| b | 14.1988 ± 0.0003 Å |
| c | 22.0662 ± 0.0004 Å |
| α | 76.3912 ± 0.0003° |
| β | 81.5811 ± 0.0003° |
| γ | 66.8814 ± 0.0003° |
| Cell volume | 3525.3 ± 0.11 Å3 |
| Cell temperature | 90 K |
| Ambient diffraction temperature | 90 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0476 |
| Residual factor for significantly intense reflections | 0.0281 |
| Weighted residual factors for significantly intense reflections | 0.0652 |
| Weighted residual factors for all reflections included in the refinement | 0.0741 |
| Goodness-of-fit parameter for significantly intense reflections | 1.1 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4341109.cif |
| 179514 | 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 4/34/11. |
4341109.cif |
| 126985 | 2014-11-12 | cif/ Updating files of 4341109 Original log message: Adding full bibliography for 4341109.cif. |
4341109.cif |
| 124057 | 2014-09-20 | cif/ Adding structures of 4341109 via cif-deposit CGI script. |
4341109.cif |
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