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Information card for entry 4310332
Preview
Coordinates | 4310332.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H56 I6 O7 Y2 |
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Calculated formula | C28 H56 I6 O7 Y2 |
SMILES | C1[O]([Y]([O]2CCCC2)(I)(I)([O]2CCCC2)([O]2CCCC2)[O]2CCCC2)CCC1.I[Y](I)(I)(I)([O]1CCCC1)[O]1CCCC1 |
Title of publication | A Convenient Route to Lanthanide Triiodide THF Solvates. Crystal Structures of LnI3(THF)4 [Ln = Pr] and LnI3(THF)3.5 [Ln = Nd, Gd, Y] |
Authors of publication | Keith Izod; Stephen T. Liddle; William Clegg |
Journal of publication | Inorganic Chemistry |
Year of publication | 2004 |
Journal volume | 43 |
Pages of publication | 214 - 218 |
a | 12.7749 ± 0.0014 Å |
b | 12.0737 ± 0.0014 Å |
c | 28.626 ± 0.003 Å |
α | 90° |
β | 98.204 ± 0.002° |
γ | 90° |
Cell volume | 4370.1 ± 0.8 Å3 |
Cell temperature | 160 ± 2 K |
Ambient diffraction temperature | 160 ± 2 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 | 0.0969 |
Residual factor for significantly intense reflections | 0.0505 |
Weighted residual factors for significantly intense reflections | 0.1156 |
Weighted residual factors for all reflections included in the refinement | 0.1351 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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