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Information card for entry 1552210
Preview
Coordinates | 1552210.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C47 H78 Al N4 P Ru |
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Calculated formula | C47 H78 Al N4 P Ru |
SMILES | [RuH2]1([H][Al]2([H]1)N(C(=CC(=[N]2c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)[N]#N |
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 | 10.7298 ± 0.0005 Å |
b | 11.865 ± 0.0005 Å |
c | 19.6541 ± 0.0007 Å |
α | 83.163 ± 0.003° |
β | 86.568 ± 0.003° |
γ | 70.525 ± 0.004° |
Cell volume | 2341.67 ± 0.18 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0551 |
Residual factor for significantly intense reflections | 0.0445 |
Weighted residual factors for significantly intense reflections | 0.105 |
Weighted residual factors for all reflections included in the refinement | 0.1116 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
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/1552210.html
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Users of the data should acknowledge the original authors of the
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