Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4079388
Preview
| Coordinates | 4079388.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H37 Cl Fe P2 Pt |
|---|---|
| Calculated formula | C28 H37 Cl Fe P2 Pt |
| SMILES | [Pt]1(c2ccccc2)(Cl)[P]2([C@H](C)CC[C@H]2C)[c]23[Fe]456789%10([cH]2[cH]4[cH]5[cH]36)[c]2([P]31[C@H](C)CC[C@H]3C)[cH]7[cH]8[cH]9[cH]%102 |
| Title of publication | Synthesis and Structure of Platinum Bis(phospholane) Complexes Pt(diphos*)(R)(X), Catalyst Precursors for Asymmetric Phosphine Alkylation |
| Authors of publication | Guino-o, Marites A.; Zureick, Andrew H.; Blank, Natalia F.; Anderson, Brian J.; Chapp, Timothy W.; Kim, Youngmin; Glueck, David S.; Rheingold, Arnold L. |
| Journal of publication | Organometallics |
| Year of publication | 2012 |
| Journal volume | 31 |
| Journal issue | 19 |
| Pages of publication | 6900 |
| a | 12.2108 ± 0.0005 Å |
| b | 13.9863 ± 0.0006 Å |
| c | 16.1809 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2763.4 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0396 |
| Residual factor for significantly intense reflections | 0.033 |
| Weighted residual factors for significantly intense reflections | 0.0715 |
| Weighted residual factors for all reflections included in the refinement | 0.0742 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178682 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/93. |
4079388.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4079388.cif |
| 72421 | 2013-01-21 | cif/ Adding structures of 4079378, 4079379, 4079380, 4079381, 4079382, 4079383, 4079384, 4079385, 4079386, 4079387, 4079388 via cif-deposit CGI script. |
4079388.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.