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Information card for entry 1514401
Preview
Coordinates | 1514401.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H20 F20 N4 U |
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Calculated formula | C48 H20 F20 N4 U |
SMILES | Fc1c(F)c2[F][U](N(c2c(c1F)F)c1ccccc1)(N(c1c(F)c(F)c(c(c1F)F)F)c1ccccc1)(N(c1c(F)c(F)c(c(c1F)F)F)c1ccccc1)N(c1c(F)c(F)c(c(c1F)F)F)c1ccccc1 |
Title of publication | Fluorinated diarylamide complexes of uranium(iii, iv) incorporating ancillary fluorine-to-uranium dative interactions |
Authors of publication | Yin, Haolin; Lewis, Andrew J.; Williams, Ursula J.; Carroll, Patrick J.; Schelter, Eric J. |
Journal of publication | Chemical Science |
Year of publication | 2013 |
Journal volume | 4 |
Journal issue | 2 |
Pages of publication | 798 |
a | 38.651 ± 0.003 Å |
b | 12.3736 ± 0.0009 Å |
c | 19.957 ± 0.0014 Å |
α | 90° |
β | 99.992 ± 0.003° |
γ | 90° |
Cell volume | 9399.7 ± 1.2 Å3 |
Cell temperature | 143 ± 1 K |
Ambient diffraction temperature | 143 ± 1 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0307 |
Residual factor for significantly intense reflections | 0.0245 |
Weighted residual factors for significantly intense reflections | 0.0652 |
Weighted residual factors for all reflections included in the refinement | 0.0681 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176729 (current) | 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. |
1514401.cif |
110121 | 2014-04-18 | cif/ Adding structures of 1514400, 1514401, 1514402, 1514403, 1514404, 1514405, 1514406, 1514407 via cif-deposit CGI script. |
1514401.cif |
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Users of the data should acknowledge the original authors of the
structural data.