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Information card for entry 4121734
Preview
Coordinates | 4121734.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H108 K O16 Si4 U |
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Calculated formula | C48 H108 K O16 Si4 U |
SMILES | [U]12([O]3[K]45([O](C(C)(C)C)[Si]3(OC(C)(C)C)OC(C)(C)C)([O](C(C)(C)C)[Si]([O]24)(OC(C)(C)C)OC(C)(C)C)[O](C(C)(C)C)[Si]([O]15)(OC(C)(C)C)OC(C)(C)C)O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C |
Title of publication | Multimetallic Cooperativity in Uranium-Mediated CO2 Activation. |
Authors of publication | Cooper, Oliver; Camp, Clément; Pécaut, Jacques; Kefalidis, Christos E.; Maron, Laurent; Gambarelli, Serge; Mazzanti, Marinella |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Journal volume | 136 |
Journal issue | 18 |
Pages of publication | 6716 - 6723 |
a | 13.0129 ± 0.001 Å |
b | 13.9929 ± 0.0011 Å |
c | 20.2901 ± 0.0011 Å |
α | 88.836 ± 0.005° |
β | 89.435 ± 0.005° |
γ | 67.668 ± 0.007° |
Cell volume | 3416.8 ± 0.5 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 | 0.1315 |
Residual factor for significantly intense reflections | 0.0791 |
Weighted residual factors for significantly intense reflections | 0.1682 |
Weighted residual factors for all reflections included in the refinement | 0.2036 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
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/4121734.html
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Users of the data should acknowledge the original authors of the
structural data.