Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7014909
Preview
| Coordinates | 7014909.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | h5-(3-p-Methoxyphenyl-2-methoxycyclohexadienyl)Mn(CO)3 |
|---|---|
| Chemical name | h5-(3-p-Methoxyphenyl-2-methoxycyclohexadienyl)Mn(CO)3 |
| Formula | C23 H19 Mn O5 |
| Calculated formula | C23 H19 Mn O5 |
| SMILES | [Mn]1234([CH]5=[C]1([C]2(=[CH]3C4C5c1ccccc1)c1ccc(OC)cc1)OC)(C#[O])(C#[O])C#[O] |
| Title of publication | New access to (η(5)-cyclohexadienyl)Mn(CO)3 and cationic (η(6)-arene)Mn(CO)3 complexes by Suzuki-Miyaura reaction. |
| Authors of publication | Rose-Munch, Françoise; Marti, Alex; Cetiner, Derya; Tranchier, Jean-Philippe; Rose, Eric |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 7 |
| Pages of publication | 1567 - 1575 |
| a | 34.311 ± 0.005 Å |
| b | 10.0678 ± 0.0018 Å |
| c | 11.3809 ± 0.0004 Å |
| α | 90° |
| β | 93.87 ± 0.008° |
| γ | 90° |
| Cell volume | 3922.4 ± 0.9 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0568 |
| Residual factor for significantly intense reflections | 0.0336 |
| Weighted residual factors for significantly intense reflections | 0.0804 |
| Weighted residual factors for all reflections included in the refinement | 0.0915 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179853 (current) | 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 7/01/49. |
7014909.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7014909.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7014909.cif |
| 14882 | 2011-03-11 | ../uploads/cif-deposit/cod/cif Adding structures of 7014909, 7014910 via cif-deposit CGI script. |
7014909.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.