Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7035057
Preview
| Coordinates | 7035057.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C43 H48 F6 P4 Pt |
|---|---|
| Calculated formula | C43 H48 F6 P4 Pt |
| SMILES | [Pt]1([P]2(c3ccccc3[P]31[C@H](C)CC[C@H]3C)[C@H](C)CC[C@H]2C)([P@]1(Cc2ccc3CCc4ccc1c2c34)c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Synthesis of a phosphapyracene via metal-mediated cyclization: structural and reactivity effects of acenaphthene precursors. |
| Authors of publication | Wang, Ge; Guino-O, Marites A; Glueck, David S.; Golen, James A.; Daley, Christopher J. A.; Rheingold, Arnold L. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 21 |
| Pages of publication | 9943 - 9954 |
| a | 12.5232 ± 0.0004 Å |
| b | 15.3824 ± 0.0005 Å |
| c | 20.9494 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4035.6 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0226 |
| Residual factor for significantly intense reflections | 0.0198 |
| Weighted residual factors for significantly intense reflections | 0.0387 |
| Weighted residual factors for all reflections included in the refinement | 0.0394 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.911 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7035057.cif |
| 138694 | 2015-06-07 | cif/ Updating files of 7035053, 7035054, 7035055, 7035056, 7035057, 7035058, 7035059, 7035060, 7035061, 7035062 Original log message: Adding full bibliography for 7035053--7035062.cif. |
7035057.cif |
| 135928 | 2015-05-09 | cif/ Adding structures of 7035053, 7035054, 7035055, 7035056, 7035057, 7035058, 7035059, 7035060, 7035061, 7035062 via cif-deposit CGI script. |
7035057.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.