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Information card for entry 7003288
Preview
| Coordinates | 7003288.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Chisholm 1328 |
|---|---|
| Formula | C20 H40 Mo2 N4 O4 |
| Calculated formula | C20 H40 Mo2 N4 O4 |
| SMILES | C(C)(C)N1[Mo]234[N](C(C)C)=C(C)N(C(C)C)[Mo]4([N](=C1C)C(C)C)([O]=C(O3)C)OC(=[O]2)C |
| 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 | 8.3023 ± 0.001 Å |
| b | 9.0596 ± 0.001 Å |
| c | 9.5252 ± 0.001 Å |
| α | 68.84 ± 0.004° |
| β | 77.08 ± 0.004° |
| γ | 65.805 ± 0.005° |
| Cell volume | 607.03 ± 0.12 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.018 |
| Residual factor for significantly intense reflections | 0.0169 |
| Weighted residual factors for significantly intense reflections | 0.0432 |
| Weighted residual factors for all reflections included in the refinement | 0.0436 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
| Diffraction radiation probe | x-ray |
| 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. |
7003288.cif |
| 179736 | 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. |
7003288.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7003288.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7003288.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. | 7003288.cif |
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