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Information card for entry 7052318
Preview
Coordinates | 7052318.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C96 H124 N4 O17 U2 |
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Calculated formula | C96 H124 N4 O17 U2 |
SMILES | [U]12345([O]6[U]789%10([O]1c1c%11C=[N]5c5c([N]4=Cc4c6c(cc(c4)C(C)(C)C)c4c(O8)c(C=Nc6c(N=Cc8c(O7)c(c1cc(c%11)C(C)(C)C)cc(c8)C(C)(C)C)cccc6)cc(c4)C(C)(C)C)cccc5)(OC(=CC(=[O]9)C)C)[O]=C(C)C=C(O%10)C)(OC(=CC(=[O]2)C)C)OC(=CC(=[O]3)C)C.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1 |
Title of publication | Synthesis, structure and magnetic behaviour of dinuclear uranium(<small>IV</small>) complexes with a ‘calixsalophen’ type macrocycle |
Authors of publication | Lionel Salmon; Pierre Thuéry; Eric Rivière; Shinpei Miyamoto; Takehiko Yamato; Michel Ephritikhine |
Journal of publication | New Journal of Chemistry |
Year of publication | 2006 |
Journal volume | 30 |
Journal issue | 8 |
Pages of publication | 1220 |
a | 16.2734 ± 0.0004 Å |
b | 29.7951 ± 0.001 Å |
c | 20.3134 ± 0.0005 Å |
α | 90° |
β | 111.161 ± 0.002° |
γ | 90° |
Cell volume | 9185.2 ± 0.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0796 |
Residual factor for significantly intense reflections | 0.0486 |
Weighted residual factors for significantly intense reflections | 0.0971 |
Weighted residual factors for all reflections included in the refinement | 0.1086 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7052318.html
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Users of the data should acknowledge the original authors of the
structural data.