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Information card for entry 4322789
Preview
Coordinates | 4322789.cif |
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Original paper (by DOI) | HTML |
Formula | C30 H39 Er O3 Se3 |
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Calculated formula | C30 H39 Er O3 Se3 |
SMILES | c1(ccccc1)[Se][Er]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([Se]c1ccccc1)[Se]c1ccccc1 |
Title of publication | Trivalent Lanthanide Chalcogenolates: Ln(SePh)3, Ln2(EPh)6, Ln4(SPh)12, and [Ln (EPh)3]n(E = S, Se). How Metal, Chalcogen, and Solvent Influence Structure |
Authors of publication | Jongseong Lee; Deborah Freedman; Jonathan H. Melman; Meggan Brewer; Lei Sun; T. J. Emge; F. H. Long; John G. Brennan |
Journal of publication | Inorganic Chemistry |
Year of publication | 1998 |
Journal volume | 37 |
Pages of publication | 2512 - 2519 |
a | 15.272 ± 0.003 Å |
b | 15.272 ± 0.003 Å |
c | 7.887 ± 0.002 Å |
α | 90 ± 0.01° |
β | 90 ± 0.01° |
γ | 120 ± 0.01° |
Cell volume | 1593.1 ± 0.6 Å3 |
Cell temperature | 153 ± 5 K |
Ambient diffraction temperature | 153 ± 5 K |
Number of distinct elements | 5 |
Space group number | 159 |
Hermann-Mauguin space group symbol | P 3 1 c |
Hall space group symbol | P 3 -2c |
Residual factor for all reflections | 0.0181 |
Residual factor for significantly intense reflections | 0.0169 |
Weighted residual factors for significantly intense reflections | 0.0401 |
Weighted residual factors for all reflections included in the refinement | 0.0404 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.998 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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