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Information card for entry 1552213
Preview
Coordinates | 1552213.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C58 H86 Al2 N4 Pd2 |
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Calculated formula | C58 H86 Al2 N4 Pd2 |
SMILES | C1(=CC(C)=[N]([Al]234([H][Pd]562[H][Al]275([H][Pd]467[H]3)[N](=C(C=C(C)N2c2c(cccc2C(C)C)C(C)C)C)c2c(cccc2C(C)C)C(C)C)N1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)C |
Title of publication | The Partial Dehydrogenation of Aluminium Dihydrides |
Authors of publication | Hooper, Thomas; Lau, Samantha; Chen, Wenyi; Brown, Ryan; Garçon, Martí; Luong, Karen; Barrow, Nathan; Tatton, Andrew; Sackman, George A.; Richardson, Christopher; White, Andrew J. P.; Cooper, Richard Ian; Edwards, Alison; Casely, Ian; Crimmin, Mark Richard |
Journal of publication | Chemical Science |
Year of publication | 2019 |
a | 24.5447 ± 0.0004 Å |
b | 15.2883 ± 0.0003 Å |
c | 14.8424 ± 0.0002 Å |
α | 90° |
β | 95.2938 ± 0.0014° |
γ | 90° |
Cell volume | 5545.81 ± 0.16 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.0324 |
Residual factor for significantly intense reflections | 0.0271 |
Weighted residual factors for significantly intense reflections | 0.0662 |
Weighted residual factors for all reflections included in the refinement | 0.07 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/1552213.html
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Users of the data should acknowledge the original authors of the
structural data.