Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7012316
Preview
| Coordinates | 7012316.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H38 B F4 Mo N3 O |
|---|---|
| Calculated formula | C24 H38 B F4 Mo N3 O |
| SMILES | [Mo]1234([CH]5=[CH]1[CH]2=[CH]3CCCC45)(C#[O])(C#[N]C(C)(C)C)(C#[N]C(C)(C)C)C#[N]C(C)(C)C.[B](F)(F)(F)[F-] |
| Title of publication | Synthesis, structure and hapticity interconversion reactions of pentahapto-bonded cyclooctadienyl complexes of molybdenumElectronic supplementary information (ESI) available: 1H and 13C NMR data for [Mo(CO)2(L')(L2)(η3-C8H11) 8a, 9a 11a, 12a, 3b, 8b, 9b, 10b, 11b, 12b. See http://www.rsc.org/suppdata/dt/b2/b209975f/ |
| Authors of publication | Spencer, Dale M.; Beddoes, Roy L.; Helliwell, Madeleine; Whiteley, Mark W. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2003 |
| Journal issue | 4 |
| Pages of publication | 638 |
| a | 13.396 ± 0.002 Å |
| b | 13.653 ± 0.019 Å |
| c | 15.81 ± 0.002 Å |
| α | 90° |
| β | 94.126 ± 0.012° |
| γ | 90° |
| Cell volume | 2884 ± 4 Å3 |
| Cell temperature | 295.2 K |
| Ambient diffraction temperature | 295.2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0861 |
| Residual factor for significantly intense reflections | 0.0566 |
| Weighted residual factors for significantly intense reflections | 0.1497 |
| Weighted residual factors for all reflections included in the refinement | 0.1681 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213973 (current) | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7012316.cif |
| 179827 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/23. |
7012316.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7012316.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7012316.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7012316.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.