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Information card for entry 4079314
Preview
Coordinates | 4079314.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C136 H148 Cr2 O16 P8 |
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Calculated formula | C136 H148 Cr2 O16 P8 |
SMILES | [O]1(CCCC1)[Cr]1234[O]=C(C(P(c5ccccc5)c5ccccc5)P(c5ccccc5)c5ccccc5)O[Cr]4([O]=C(C(P(c4ccccc4)c4ccccc4)P(c4ccccc4)c4ccccc4)O1)(OC(=[O]3)C(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1)([O]=C(O2)C(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1)[O]1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1 |
Title of publication | Synthesis and Catalytic Oligomerization Activity of Chromium Catalysts of Ligand Systems with Switchable Connectivity |
Authors of publication | Kulangara, Shaneesh Vadake; Mason, Chris; Juba, Michael; Yang, Yun; Thapa, Indira; Gambarotta, Sandro; Korobkov, Ilia; Duchateau, Rob |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 17 |
Pages of publication | 6438 |
a | 13.8435 ± 0.0004 Å |
b | 14.4075 ± 0.0005 Å |
c | 16.5489 ± 0.0005 Å |
α | 86.82 ± 0.002° |
β | 82.579 ± 0.001° |
γ | 69.689 ± 0.001° |
Cell volume | 3069.32 ± 0.17 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.114 |
Residual factor for significantly intense reflections | 0.0704 |
Weighted residual factors for significantly intense reflections | 0.1546 |
Weighted residual factors for all reflections included in the refinement | 0.173 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
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/4079314.html
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Users of the data should acknowledge the original authors of the
structural data.