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Information card for entry 7232557
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Coordinates | 7232557.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C45 H69 O3 Y |
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Calculated formula | C45 H69 O3 Y |
Title of publication | Reversible temperature-induced polymorphic phase transitions of [Y(OAr)3] and [Ce(OAr)3] (Ar = 2,6-tBu2-4-MeC6H2): interconversions between pyramidal and planar geometries |
Authors of publication | Haddow, Mairi F.; Newland, Robert J.; Tegner, Bengt E.; Mansell, Stephen M. |
Journal of publication | CrystEngComm |
Year of publication | 2019 |
Journal volume | 21 |
Journal issue | 18 |
Pages of publication | 2884 |
a | 9.7113 ± 0.0003 Å |
b | 15.0872 ± 0.0004 Å |
c | 15.6649 ± 0.0005 Å |
α | 70.506 ± 0.002° |
β | 83.665 ± 0.002° |
γ | 82.16 ± 0.002° |
Cell volume | 2138.2 ± 0.11 Å3 |
Cell temperature | 160 ± 2 K |
Ambient diffraction temperature | 160 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0682 |
Residual factor for significantly intense reflections | 0.0377 |
Weighted residual factors for significantly intense reflections | 0.0864 |
Weighted residual factors for all reflections included in the refinement | 0.0965 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7232557.html
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Users of the data should acknowledge the original authors of the
structural data.