Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7003292
Preview
| Coordinates | 7003292.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C58 H84 Fe2 N4 O8 W2 |
|---|---|
| Calculated formula | C58 H84 Fe2 N4 O8 W2 |
| SMILES | C1(C#C[c]23[cH]4[cH]5[cH]6[cH]2[Fe]27893456[cH]3[cH]2[cH]7[cH]8[cH]93)=[N]([W]234N(C(C)C)C(C#C[c]56[cH]7[cH]8[cH]9[cH]5[Fe]5%10%11%126789[cH]6[cH]5[cH]%10[cH]%11[cH]%126)=[N]([W]4(N1C(C)C)([O]=C(O3)C)OC(=[O]2)C)C(C)C)C(C)C.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1 |
| Title of publication | Amidinate‒carboxylate complexes of dimolybdenum and ditungsten: M2(O2CR)2((NiPr)2CR′)2. Preparations, molecular and electronic structures and reactions |
| Authors of publication | Brown, Douglas J.; Chisholm, Malcolm H.; Gallucci, Judith C. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2008 |
| Journal issue | 12 |
| Pages of publication | 1615 - 1624 |
| a | 11.0512 ± 0.0001 Å |
| b | 11.8155 ± 0.0001 Å |
| c | 12.2514 ± 0.0001 Å |
| α | 67.331 ± 0.004° |
| β | 77.86 ± 0.004° |
| γ | 85.531 ± 0.004° |
| Cell volume | 1443.13 ± 0.05 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0413 |
| Residual factor for significantly intense reflections | 0.0331 |
| Weighted residual factors for significantly intense reflections | 0.0841 |
| Weighted residual factors for all reflections included in the refinement | 0.0876 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179736 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/32. |
7003292.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7003292.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7003292.cif |
| 1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7003292.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.