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Information card for entry 4083994
Preview
Coordinates | 4083994.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H49 Cl2 Li N2 U |
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Calculated formula | C30 H49 Cl2 Li N2 U |
SMILES | [c]12(C)[c]3(C)[c]4(C)[c]56[c]7(C)[c]8(C)[c]9(C)[c]15[U]15%10%11%122346789([c]2([c]1([c]5([c]%10([c]%112C)C)C)C)C)[Cl][Li]1([Cl]%12)[N](C)(C)CC[N]1(C)C |
Title of publication | Half- and Mixed-Sandwich Uranium Permethylpentalene Compounds |
Authors of publication | Chadwick, F. Mark; O’Hare, Dermot M. |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 14 |
Pages of publication | 3768 |
a | 10.6213 ± 0.0001 Å |
b | 43.493 ± 0.0005 Å |
c | 21.143 ± 0.0003 Å |
α | 90° |
β | 104.191 ± 0.0005° |
γ | 90° |
Cell volume | 9469 ± 0.2 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Ambient diffracton pressure | 101 kPa |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1032 |
Residual factor for significantly intense reflections | 0.0589 |
Weighted residual factors for all reflections | 0.1236 |
Weighted residual factors for significantly intense reflections | 0.096 |
Weighted residual factors for all reflections included in the refinement | 0.1233 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9581 |
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/4083994.html
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Users of the data should acknowledge the original authors of the
structural data.