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Information card for entry 4329489
Preview
Coordinates | 4329489.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C67 H100 Cl N6 O2 Y |
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Calculated formula | C62 H88 Cl N6 O2 Y |
SMILES | [Y](Cl)(N=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)(N=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)([O]1CCCC1)[O]1CCCC1 |
Title of publication | Bis(imidazolin-2-iminato) Rare Earth Metal Complexes: Synthesis, Structural Characterization, and Catalytic Application |
Authors of publication | Alexandra G. Trambitas; Daniel Melcher; Larissa Hartenstein; Peter W. Roesky; Constantin Daniliuc; Peter G. Jones; Matthias Tamm |
Journal of publication | Inorganic Chemistry |
Year of publication | 2012 |
Journal volume | 51 |
Pages of publication | 6753 - 6761 |
a | 12.5879 ± 0.0006 Å |
b | 13.6024 ± 0.0008 Å |
c | 19.3331 ± 0.0009 Å |
α | 77.231 ± 0.004° |
β | 86.272 ± 0.004° |
γ | 82.362 ± 0.004° |
Cell volume | 3197.6 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0672 |
Residual factor for significantly intense reflections | 0.0617 |
Weighted residual factors for significantly intense reflections | 0.1692 |
Weighted residual factors for all reflections included in the refinement | 0.1738 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/4329489.html
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