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Information card for entry 1519090
Preview
Coordinates | 1519090.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C6 H12 F3 N Na2 O8 U |
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Calculated formula | C6 H12 F3 N Na2 O8 U |
SMILES | [U]1(F)(F)(F)(=O)(=O)[O]=Cc2[n]1cccc2.[Na+].[Na+].O.O.O.O |
Title of publication | Structure of the Sodium Salt of the Ternary Uranyl‒Picolinate‒Fluoride Complex [UO2(picolinate)F3] Na2(H2O)4. |
Authors of publication | Aas, Wenche; Johansson, Maria H. |
Journal of publication | Acta Chemica Scandinavica |
Year of publication | 1999 |
Journal volume | 53 |
Pages of publication | 581 - 583 |
a | 7.1219 ± 0.0001 Å |
b | 8.6926 ± 0.0002 Å |
c | 12.8483 ± 0.0003 Å |
α | 106.26 ± 0.001° |
β | 91.328 ± 0.001° |
γ | 113.379 ± 0.001° |
Cell volume | 692.72 ± 0.03 Å3 |
Ambient diffraction temperature | 298 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for significantly intense reflections | 0.0414 |
Weighted residual factors for significantly intense reflections | 0.103 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
189246 (current) | 2016-12-19 | cif/1 (antanas@echidna.ibt.lt) Marking attached hydrogen atoms. |
1519090.cif |
189214 | 2016-12-19 | cif/1/51/90/ (antanas@echidna.ibt.lt) Adding the 'O8' atom coordinates after consulting the original publication. |
1519090.cif |
176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1519090.cif |
135367 | 2015-04-26 | cif/ Adding structures of 1519090 via cif-deposit CGI script. |
1519090.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.