Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4070810
Preview
| Coordinates | 4070810.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C68 H116 B2 F8 Mo4 O14 P6 |
|---|---|
| Calculated formula | C68 H116 B2 F8 Mo4 O14 P6 |
| Title of publication | Chemistry of Unsaturated Group 6 Metal Complexes with Bridging Hydroxy and Methoxycarbyne Ligands. 3. Formation and Cleavage of C−C and C−O Bonds in the Reactions of the Complexes [Mo2Cp2(µ-COMe)(µ-COR)(µ-PCy2)]BF4(R = Me, Et) |
| Authors of publication | García, M. Esther; García-Vivó, Daniel; Ruiz, Miguel A. |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 4 |
| Pages of publication | 543 |
| a | 11.967 ± 0.002 Å |
| b | 19.929 ± 0.004 Å |
| c | 20.267 ± 0.004 Å |
| α | 62.708 ± 0.004° |
| β | 76.801 ± 0.004° |
| γ | 75.315 ± 0.004° |
| Cell volume | 4119.6 ± 1.4 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1001 |
| Residual factor for significantly intense reflections | 0.0496 |
| Weighted residual factors for significantly intense reflections | 0.1075 |
| Weighted residual factors for all reflections included in the refinement | 0.1225 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.923 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178597 (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 4/07/08. |
4070810.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4070810.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070810.cif |
| 42720 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070810, 4070811, 4070812 via cif-deposit CGI script. |
4070810.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.