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Information card for entry 4069156
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Coordinates | 4069156.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Dicarbonyl(triphenylphosphane)[(eta-6-1,2,3,4,4a,1a)-1-tert-butyldimethyl- siloxy-2,3-diethyl-4-methoxyphenanthrene]chromium |
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Formula | C45 H49 Cr O4 P Si |
Calculated formula | C45 H49 Cr O4 P Si |
SMILES | [Cr]12345(C#[O])(C#[O])([P](c6ccccc6)(c6ccccc6)c6ccccc6)[c]6(OC)[c]1(CC)[c]2([c]3(O[Si](C)(C)C(C)(C)C)[c]14ccc2ccccc2[c]561)CC |
Title of publication | P-Coligand Tuning of the Haptotropic Metal Migration in Phenanthrene Chromium Complexes |
Authors of publication | Joistgen, Oliver; Pfletschinger, Anja; Ciupka, Jan; Dolg, Michael; Nieger, Martin; Schnakenburg, Gregor; Fröhlich, Roland; Kataeva, Olga; Dötz, Karl Heinz |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 12 |
Pages of publication | 3473 |
a | 9.4311 ± 0.0001 Å |
b | 11.9278 ± 0.0001 Å |
c | 19.7424 ± 0.0003 Å |
α | 73.265 ± 0.001° |
β | 83.572 ± 0.001° |
γ | 68.017 ± 0.001° |
Cell volume | 1972.16 ± 0.04 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 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 | 0.0519 |
Residual factor for significantly intense reflections | 0.0347 |
Weighted residual factors for significantly intense reflections | 0.0862 |
Weighted residual factors for all reflections included in the refinement | 0.0911 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4069156.html
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Users of the data should acknowledge the original authors of the
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