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Information card for entry 7052796
Preview
| Coordinates | 7052796.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Bis(benzyltriphenylphosphonium)tetrabromocuprate(II) chloroform solvate |
|---|---|
| Formula | C52 H46 Br4 Cl6 Cu P2 |
| Calculated formula | C52 H46 Br4 Cl6 Cu P2 |
| SMILES | C(c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.C(c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.Br[Cu](Br)([Br-])[Br-] |
| Title of publication | Tetrahalidocuprates(ii)—structure and EPR spectroscopy. Part 1: Tetrabromidocuprates(ii) |
| Authors of publication | Farra, Ramzi; Thiel, Kerstin; Winter, Alette; Klamroth, Tillmann; Pöppl, Andreas; Kelling, Alexandra; Schilde, Uwe; Taubert, Andreas; Strauch, Peter |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2011 |
| Journal volume | 35 |
| Journal issue | 12 |
| Pages of publication | 2793 |
| a | 18.6843 ± 0.0011 Å |
| b | 10.2238 ± 0.0006 Å |
| c | 28.5236 ± 0.0015 Å |
| α | 90° |
| β | 91.612 ± 0.005° |
| γ | 90° |
| Cell volume | 5446.6 ± 0.5 Å3 |
| Cell temperature | 210 ± 2 K |
| Ambient diffraction temperature | 210 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0543 |
| Residual factor for significantly intense reflections | 0.0321 |
| Weighted residual factors for significantly intense reflections | 0.0662 |
| Weighted residual factors for all reflections included in the refinement | 0.0717 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.91 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180081 (current) | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/27. |
7052796.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7052796.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7052796.cif |
| 31362 | 2011-12-13 | ../uploads/cif-deposit/cod/cif Adding structures of 7052793, 7052794, 7052795, 7052796 via cif-deposit CGI script. |
7052796.cif |
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