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Information card for entry 7027271
Preview
| Coordinates | 7027271.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | 1,5,9-triphenyl-1,5,9-triphosphacyclododecane molybdenum tricarbonyl complex |
|---|---|
| Formula | C30 H33 Mo O3 P3 |
| Calculated formula | C30 H33 Mo O3 P3 |
| Title of publication | The template synthesis of triaryl functionalised 1,5,9-triphosphacyclododecane on molybdenum using organocopper reagents † |
| Authors of publication | Jones, David J.; Edwards, Peter G.; Tooze, Robert P.; Albers, Thomas |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 1999 |
| Journal issue | 7 |
| Pages of publication | 1045 |
| a | 9.399 ± 0.004 Å |
| b | 17.59 ± 0.03 Å |
| c | 34.22 ± 0.02 Å |
| α | 90° |
| β | 90.15 ± 0.03° |
| γ | 90° |
| Cell volume | 5658 ± 10 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0833 |
| Residual factor for significantly intense reflections | 0.0484 |
| Weighted residual factors for significantly intense reflections | 0.085 |
| Weighted residual factors for all reflections included in the refinement | 0.0924 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.805 |
| 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. |
7027271.cif |
| 179978 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/72. |
7027271.cif |
| 95217 | 2014-01-28 | cif/ Adding structures of 7027271 via cif-deposit CGI script. |
7027271.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.