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Information card for entry 7038636
Preview
Coordinates | 7038636.cif |
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Original paper (by DOI) | HTML |
Formula | Ca14 H7.75 N36 Na20 O248 U24 |
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Calculated formula | Ca14 N36 Na20 O248 U24 |
SMILES | N1(=[O][U]234(=O)(=O)(O1)ON(=[O]2)=[O][U]125(=O)(=O)[O]=N6=[O][U]78(O6)(=O)(=O)(ON(=[O]7)=O)ON(=[O]8)=[O][U]67([O]=N(=[O]3)O4)(O[U]348([O]=N9=[O][U]%10%11(=O)(=O)(ON(=[O]%10)=O)(O9)ON(=[O]%11)=[O][U]9%10(O[U]%11%12%13([O]=N%14=[O][U]%15%16(=O)(=O)(ON(=[O]%15)=O)(O%14)ON(=[O]%16)=[O][U]%14%15(O[U]%16%17([O]=N%18=[O][U]%19%20(=O)(=O)(ON(=[O]%19)=O)(O%18)ON(=[O]%20)=[O][U]%18(O1)(=O)([O]=N1=[O][U]%19%20(O1)(ON(=[O]%16)=[O]%19)(=O)(=O)ON(=[O]%20)=O)(=O)O[U]1([O]2%18)(=O)(O5)(=O)[O]=N2=[O][U]5%16(O2)([O]=N(=[O][U](O9)([O]%10%12)(=O)(O%13)(=O)[O]=N2=[O][U]9%10(O2)(ON(=[O]1)=[O]9)(ON(=[O]%10)=O)(=O)=O)O5)(ON(=[O]%16)=O)(=O)=O)(=O)(=O)[O]%15[U]1(O%14)(=O)(O%17)(=O)[O]=N2=[O][U]59(O2)([O]=N(=[O][U](O6)([O]74)(=O)(O8)(=O)[O]=N2=[O][U]46(O2)(ON(=[O]1)=[O]4)(ON(=[O]6)=O)(=O)=O)O5)(ON(=[O]9)=O)(=O)=O)(=O)([O]=N1=[O][U]24(ON(=[O]%11)=[O]2)(=O)(=O)(ON(=[O]4)=O)O1)=O)(=O)=O)(=O)([O]=N1=[O][U]24(O1)(ON(=[O]3)=[O]2)(=O)(=O)ON(=[O]4)=O)=O)(=O)=O)(=O)=O)=O.O.O.O.O.O.O.O.[Na+].[Ca+2].[Na+].[Ca+2].[Na+].[Ca+2].[Na+].[Ca+2].[Na+].[Ca+2].[Na+].[Ca+2].[Na+].[Ca+2].[Na+].[Ca+2].[Na+].[Ca+2].[Na+].[Ca+2].[Na+].[Ca+2].[Na+].[Ca+2].[Na+].[Ca+2].[Na+].[Ca+2].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O |
Title of publication | An investigation of the interactions of Eu(3+) and Am(3+) with uranyl minerals: implications for the storage of spent nuclear fuel. |
Authors of publication | Biswas, Saptarshi; Steudtner, Robin; Schmidt, Moritz; McKenna, Cora; León Vintró, Luis; Twamley, Brendan; Baker, Robert J. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 15 |
Pages of publication | 6383 - 6393 |
a | 35.255 ± 0.003 Å |
b | 35.255 ± 0.003 Å |
c | 49.064 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 60982 ± 9 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 142 |
Hermann-Mauguin space group symbol | I 41/a c d :2 |
Hall space group symbol | -I 4bd 2c |
Residual factor for all reflections | 0.0713 |
Residual factor for significantly intense reflections | 0.0492 |
Weighted residual factors for significantly intense reflections | 0.1108 |
Weighted residual factors for all reflections included in the refinement | 0.1211 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
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/7038636.html
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