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Information card for entry 7002593
Preview
Coordinates | 7002593.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Compound 1 |
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Formula | C56 H80 O4 S2 V |
Calculated formula | C56 H80 O4 S2 V |
SMILES | c12c(cc(cc1[S]1[V]34(O2)(Oc2c(cc(cc2[S]4c2c(O3)c(cc(c2)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)Oc2c1cc(C(C)(C)C)cc2C(C)(C)C)C(C)(C)C)C(C)(C)C |
Title of publication | Synthesis, structure and ethylene polymerisation behaviour of vanadium(iv and v) complexes bearing chelating aryloxides |
Authors of publication | Homden, Damien; Redshaw, Carl; Warford, Lee; Hughes, David L.; Wright, Joseph A.; Dale, Sophie H.; Elsegood, Mark R. J. |
Journal of publication | Dalton Transactions |
Year of publication | 2009 |
Journal issue | 41 |
Pages of publication | 8900 - 8910 |
a | 19.6406 ± 0.0006 Å |
b | 15.4525 ± 0.0005 Å |
c | 18.2289 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5532.4 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 56 |
Hermann-Mauguin space group symbol | P c c n |
Hall space group symbol | -P 2ab 2ac |
Residual factor for all reflections | 0.0593 |
Residual factor for significantly intense reflections | 0.0422 |
Weighted residual factors for significantly intense reflections | 0.1073 |
Weighted residual factors for all reflections included in the refinement | 0.1235 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7002593.html
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