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Information card for entry 7001692
Preview
| Coordinates | 7001692.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C34 H48 Mo N2 O4 |
|---|---|
| Calculated formula | C34 H48 Mo N2 O4 |
| SMILES | [Mo]12([N](=C(C=C(O2)C)C)c2c(cccc2C(C)C)C(C)C)([N](=C(C=C(O1)C)C)c1c(cccc1C(C)C)C(C)C)(=O)=O |
| Title of publication | Oxo-molybdenum and oxo-tungsten complexes of Schiff bases relevant to molybdoenzymes |
| Authors of publication | Lyashenko, Ganna; Saischek, Gerald; Judmaier, Martina E.; Volpe, Manuel; Baumgartner, Judith; Belaj, Ferdinand; Jancik, Vojtech; Herbst-Irmer, Regine; Mösch-Zanetti, Nadia C. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2009 |
| Journal issue | 29 |
| Pages of publication | 5655 |
| a | 11.691 ± 0.002 Å |
| b | 16.641 ± 0.003 Å |
| c | 16.834 ± 0.003 Å |
| α | 90° |
| β | 100.48 ± 0.03° |
| γ | 90° |
| Cell volume | 3220.4 ± 1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 c 1 |
| Hall space group symbol | P -2yc |
| Residual factor for all reflections | 0.0679 |
| Residual factor for significantly intense reflections | 0.0638 |
| Weighted residual factors for significantly intense reflections | 0.1542 |
| Weighted residual factors for all reflections included in the refinement | 0.1576 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.13 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301846 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/00/ Each referenced PubChem compound corresponds to the full crystal structure. |
7001692.cif |
| 179714 | 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 7/00/16. |
7001692.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7001692.cif |
| 69511 | 2012-12-19 | Some minor fixes in several CIFS and adding a few Fobs |
7001692.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7001692.cif |
| 1143 | 2010-05-03 | cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition. |
7001692.cif |
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