Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4340953
Preview
| Coordinates | 4340953.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C104 H92 Br4 Cu4 P4 |
|---|---|
| Calculated formula | C104 H92 Br4 Cu4 P4 |
| SMILES | [Br]12[Cu]3([Br]4[Cu]1([Br]1[Cu]2([Br]3[Cu]41[p]1c(cc(c(c1c1c(c(ccc1)C)C)C)c1ccccc1)c1ccccc1)[p]1c(cc(c(c1c1c(c(ccc1)C)C)C)c1ccccc1)c1ccccc1)[p]1c(c(c(cc1c1ccccc1)c1ccccc1)C)c1c(c(ccc1)C)C)[p]1c(c(c(cc1c1ccccc1)c1ccccc1)C)c1c(c(ccc1)C)C |
| Title of publication | Synthesis and photoluminescence properties of an unprecedented phosphinine-Cu₄Br₄ cluster. |
| Authors of publication | Roesch, Philipp; Nitsch, Jörn; Lutz, Martin; Wiecko, Jelena; Steffen, Andreas; Müller, Christian |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 18 |
| Pages of publication | 9855 - 9859 |
| a | 14.5603 ± 0.0002 Å |
| b | 18.124 ± 0.0002 Å |
| c | 19.7259 ± 0.0003 Å |
| α | 88.6456 ± 0.0004° |
| β | 85.9254 ± 0.0004° |
| γ | 67.035 ± 0.0008° |
| Cell volume | 4780.75 ± 0.11 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0915 |
| Residual factor for significantly intense reflections | 0.0629 |
| Weighted residual factors for significantly intense reflections | 0.1563 |
| Weighted residual factors for all reflections included in the refinement | 0.1668 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179512 (current) | 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 4/34/09. |
4340953.cif |
| 126870 | 2014-11-11 | cif/ Updating files of 4340953 Original log message: Adding full bibliography for 4340953.cif. |
4340953.cif |
| 126004 | 2014-10-30 | cod/ (saulius@kolibris) Adding full bibliographies to the recently deposited structures from RSS feeds. |
4340953.cif |
| 122536 | 2014-08-27 | cif/ Adding structures of 4340953 via cif-deposit CGI script. |
4340953.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.