Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4109369
Preview
| Coordinates | 4109369.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C35 H68 N P2 Re Si2 |
|---|---|
| Calculated formula | C35 H68 N P2 Re Si2 |
| SMILES | [ReH2]12345([P](C[Si](N2[Si](C)(C)C[P]1(C1CCCCC1)C1CCCCC1)(C)C)(C1CCCCC1)C1CCCCC1)[CH]1C[CH]5=[CH]4[CH]3=1 |
| Title of publication | Operationally Unsaturated Pincer/Rhenium Complexes Form Metal Carbenes from Cycloalkenes and Metal Carbynes from Alkanes |
| Authors of publication | Oleg V. Ozerov; Lori A. Watson; Maren Pink; Kenneth G. Caulton |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2007 |
| Journal volume | 129 |
| Pages of publication | 6003 - 6016 |
| a | 10.6899 ± 0.0002 Å |
| b | 11.663 ± 0.0003 Å |
| c | 16.4431 ± 0.0004 Å |
| α | 78.732 ± 0.001° |
| β | 85.921 ± 0.001° |
| γ | 68.273 ± 0.001° |
| Cell volume | 1867.71 ± 0.08 Å3 |
| Cell temperature | 115 ± 2 K |
| Ambient diffraction temperature | 115 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0263 |
| Residual factor for significantly intense reflections | 0.0216 |
| Weighted residual factors for significantly intense reflections | 0.0498 |
| Weighted residual factors for all reflections included in the refinement | 0.0521 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198632 (current) | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_exptl_absorpt_correction_type' data item 'multi-scan' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i | cif_filter --no-exclude-publication-details -h $i | sponge $i A total of 524 files were changed. |
4109369.cif |
| 178839 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/93. |
4109369.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4109369.cif |
| 58135 | 2012-05-25 | cif/ Adding structures of 4109369 via cif-deposit CGI script. |
4109369.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.