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Information card for entry 7020913
Preview
| Coordinates | 7020913.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C12.5 H23 Cl6 Mo N2 O2 |
|---|---|
| Calculated formula | C12.5 H23 Cl6 Mo N2 O2 |
| Title of publication | The interaction of molybdenum pentachloride with carbonyl compounds. |
| Authors of publication | Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2013 |
| Journal volume | 42 |
| Journal issue | 7 |
| Pages of publication | 2477 - 2487 |
| a | 7.9367 ± 0.0015 Å |
| b | 9.3654 ± 0.0017 Å |
| c | 14.858 ± 0.003 Å |
| α | 98.165 ± 0.002° |
| β | 94.358 ± 0.002° |
| γ | 108.054 ± 0.002° |
| Cell volume | 1030.9 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0681 |
| Residual factor for significantly intense reflections | 0.0531 |
| Weighted residual factors for significantly intense reflections | 0.1335 |
| Weighted residual factors for all reflections included in the refinement | 0.1449 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301848 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
7020913.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7020913.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7020913.cif |
| 73712 | 2013-02-21 | cif/ Adding structures of 7020909, 7020910, 7020911, 7020912, 7020913 via cif-deposit CGI script. |
7020913.cif |
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Users of the data should acknowledge the original authors of the
structural data.