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Information card for entry 7105440
Preview
Coordinates | 7105440.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C184 H142 N2 O32 U6 |
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Calculated formula | C184 H142 N2 O32 U6 |
SMILES | [U]12345([OH]6[U]789%10([O]%11[U]%12%13%14%15([OH]%16[U]%17%18%19([O]1[U]1%206%11%16([O]=C(c6ccccc6)C=C(O1)c1ccccc1)[O]=C(c1ccccc1)C=C(O%20)c1ccccc1)([O]%13[U]16([O]27)([OH]8%12)([OH]3%17)([O]=C(c2ccccc2)C=C(O1)c1ccccc1)OC(=CC(=[O]6)c1ccccc1)c1ccccc1)([O]=C(c1ccccc1)C=C(O%18)c1ccccc1)[O]=C(c1ccccc1)C=C(O%19)c1ccccc1)([O]=C(c1ccccc1)C=C(O%14)c1ccccc1)OC(=CC(=[O]%15)c1ccccc1)c1ccccc1)(OC(=CC(=[O]9)c1ccccc1)c1ccccc1)OC(=CC(=[O]%10)c1ccccc1)c1ccccc1)([O]=C(c1ccccc1)C=C(O4)c1ccccc1)OC(=CC(=[O]5)c1ccccc1)c1ccccc1.N#CC.N#CC |
Title of publication | Ligand assisted cleavage of uranium oxo-clusters. |
Authors of publication | Nocton, Grégory; Pécaut, Jacques; Filinchuk, Yaroslav; Mazzanti, Marinella |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2010 |
Journal volume | 46 |
Journal issue | 16 |
Pages of publication | 2757 - 2759 |
a | 18.2263 ± 0.0006 Å |
b | 18.995 ± 0.001 Å |
c | 26.5602 ± 0.0007 Å |
α | 75.858 ± 0.003° |
β | 79.099 ± 0.002° |
γ | 64.725 ± 0.004° |
Cell volume | 8025.3 ± 0.6 Å3 |
Cell temperature | 100 ± 1 K |
Ambient diffraction temperature | 100 ± 1 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 | 0.0986 |
Residual factor for significantly intense reflections | 0.0832 |
Weighted residual factors for significantly intense reflections | 0.2223 |
Weighted residual factors for all reflections included in the refinement | 0.246 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
Diffraction radiation wavelength | 0.69408 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7105440.html
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