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Information card for entry 1540627
Preview
Coordinates | 1540627.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C60 H82 Cl2 Mo N2 O2 |
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Calculated formula | C60 H82 Cl2 Mo N2 O2 |
SMILES | [Mo]1(Oc2c(cc(cc2C(c2ccccc2)c2c(O1)c(C(C)(C)C)cc(c2)C(C)(C)C)C(C)(C)C)C(C)(C)C)(=Nc1c(cccc1C(C)C)C(C)C)=Nc1c(cccc1C(C)C)C(C)C.ClCCl |
Title of publication | Molybdenum (VI) Imido Complexes Derived from Chelating Phenols: Synthesis, Characterization and ɛ-Caprolactone ROP Capability |
Authors of publication | Al-Khafaji, Yahya; Prior, Timothy; Elsegood, Mark; Redshaw, Carl |
Journal of publication | Catalysts |
Year of publication | 2015 |
Journal volume | 5 |
Journal issue | 4 |
Pages of publication | 1928 |
a | 11.7691 ± 0.0007 Å |
b | 14.1045 ± 0.0009 Å |
c | 18.0657 ± 0.0012 Å |
α | 83.543 ± 0.005° |
β | 81.066 ± 0.005° |
γ | 74.829 ± 0.005° |
Cell volume | 2851.1 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.0563 |
Residual factor for significantly intense reflections | 0.0401 |
Weighted residual factors for significantly intense reflections | 0.0938 |
Weighted residual factors for all reflections included in the refinement | 0.0968 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.912 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1540627.html
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Users of the data should acknowledge the original authors of the
structural data.