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Information card for entry 4335132
Preview
Coordinates | 4335132.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C180 As31 O121 U12 |
---|---|
Calculated formula | C180 As31 O121 U12 |
SMILES | c1(ccccc1)[As]12=[O][U]345(=O)(O[As]6(=[O][U]789(O[As](=[O][U]%10%11%12(=O)(O[As](c%13ccccc%13)(=[O][U]%13%14%15([O]=[As](c%16ccccc%16)(O%11)O[As](c%11ccccc%11)(=[O][U]%11%16%17(O[As](c%18ccccc%18)(O[U]%18([O]=[As](c%19ccccc%19)(O4)O2)(=O)(=O)(O[As](c2ccccc2)(O[U]24(O[As]%19(c%20ccccc%20)=[O][U]%20%21%22(=O)([O]=[As](c%23ccccc%23)(O[As](c%23ccccc%23)(O%20)=[O][U]%20%23(=O)([O]=[As]%24(c%25ccccc%25)O[U](O[As](c%25ccccc%25)(=O)O[U]%25%26(=O)([O]=[As]%27(O[U](O1)([O]=[As](c1ccccc1)(O3)O%27)(O[As](c1ccccc1)(O%19)=[O]4)(=O)(=O)[O]=[As](c1ccccc1)(O[As](c1ccccc1)(O%21)=[O]%26)O%25)c1ccccc1)(=O)O[As](c1ccccc1)(O8)=O)([O]=[As](c1ccccc1)(O[As](c1ccccc1)(=[O]%23)O%22)O%20)([O]=[As](c1ccccc1)(O%13)O%24)(O[As](c1ccccc1)(O9)=O)(=O)=O)(=O)[O]=[As](c1ccccc1)(O[As](c1ccccc1)(=[O]%15)O%16)O%17)O2)=O)(O[As](c1ccccc1)(=O)O%11)(=O)=O)=O)[O]=[As](c1ccccc1)(O5)O[As](c1ccccc1)(O%10)=[O]%18)=O)(=O)=O)O%14)(=O)=O)O[As](=[O]7)(c1ccccc1)O%12)=O)(c1ccccc1)O6)(=O)=O)c1ccccc1)=O.O.O.O.O.O.O.O.[As]([O-])([O-])([O-])([O-])([O-])[O-].O.O.O.O.O.O |
Title of publication | Hybrid Uranyl Arsonate Coordination Nanocages |
Authors of publication | Pius O. Adelani; Ginger E. Sigmon; Peter C. Burns |
Journal of publication | Inorganic Chemistry |
Year of publication | 2013 |
Journal volume | 52 |
Pages of publication | 6245 - 6247 |
a | 31.365 ± 0.003 Å |
b | 30.63 ± 0.003 Å |
c | 28.328 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 27215 ± 5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 60 |
Hermann-Mauguin space group symbol | P b c n |
Hall space group symbol | -P 2n 2ab |
Residual factor for all reflections | 0.2843 |
Residual factor for significantly intense reflections | 0.1105 |
Weighted residual factors for significantly intense reflections | 0.2845 |
Weighted residual factors for all reflections included in the refinement | 0.3716 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4335132.html
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