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Information card for entry 7048579
Preview
| Coordinates | 7048579.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C46 H55 Mo N O5 |
|---|---|
| Calculated formula | C46 H55 Mo N O5 |
| Title of publication | Mono-oxo molybdenum(vi) and tungsten(vi) complexes bearing chelating aryloxides: synthesis, structure and ring opening polymerization of cyclic esters |
| Authors of publication | Sun, Ziyue; Zhao, Yanxia; Prior, Timothy J.; Elsegood, Mark R. J.; Wang, Kuiyuan; Xing, Tian; Redshaw, Carl |
| Journal of publication | Dalton Transactions |
| Year of publication | 2019 |
| a | 12.7438 ± 0.0004 Å |
| b | 12.7438 ± 0.0004 Å |
| c | 12.5551 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2039 ± 0.16 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 85 |
| Hermann-Mauguin space group symbol | P 4/n |
| Hall space group symbol | -P 4a |
| Residual factor for all reflections | 0.1076 |
| Residual factor for significantly intense reflections | 0.0738 |
| Weighted residual factors for significantly intense reflections | 0.1761 |
| Weighted residual factors for all reflections included in the refinement | 0.1938 |
| 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 | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301850 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure. |
7048579.cif |
| 212970 | 2019-01-11 | cif/ Adding structures of 7048573, 7048574, 7048575, 7048576, 7048577, 7048578, 7048579, 7048580, 7048581, 7048582 via cif-deposit CGI script. |
7048579.cif |
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Users of the data should acknowledge the original authors of the
structural data.