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Information card for entry 7114951
Preview
| Coordinates | 7114951.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C108 H97 B2 Cl4 Cu4 F8 P9 |
|---|---|
| Calculated formula | C108 H97 B2 Cl4 Cu4 F8 P9 |
| SMILES | [Cu]123[Cu]4([P](c5ccccc5)(c5ccccc5)C[P](c5ccccc5)(c5ccccc5)[Cu]56[Cu]([P]345c3ccccc3)([P](C[P]6(c3ccccc3)c3ccccc3)(c3ccccc3)c3ccccc3)[P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl.C(Cl)Cl.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-] |
| Title of publication | The first luminescent tetranuclear copper(i) μ4-phosphinidene complex |
| Authors of publication | Wing-Wah Yam, Vivian; Chung-Chin Cheng, Eddie; Zhu, Nianyong |
| Journal of publication | Chemical Communications |
| Year of publication | 2001 |
| Journal issue | 11 |
| Pages of publication | 1028 |
| a | 14.456 ± 0.002 Å |
| b | 28.797 ± 0.003 Å |
| c | 25.34 ± 0.003 Å |
| α | 90° |
| β | 91.27 ± 0.02° |
| γ | 90° |
| Cell volume | 10546 ± 2 Å3 |
| Cell temperature | 301 ± 2 K |
| Ambient diffraction temperature | 301 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0601 |
| Residual factor for significantly intense reflections | 0.0513 |
| Weighted residual factors for significantly intense reflections | 0.1381 |
| Weighted residual factors for all reflections included in the refinement | 0.1484 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301857 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
7114951.cif |
| 180263 | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/49. |
7114951.cif |
| 118442 | 2014-06-30 | cif/ Adding structures of 7114951 via cif-deposit CGI script. |
7114951.cif |
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Users of the data should acknowledge the original authors of the
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