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Information card for entry 1549298
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Coordinates | 1549298.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Cp"2Th(IV)AlanateHydride |
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Chemical name | Cp"2Th(IV)AlanateHydride |
Formula | C36 H73 Al Si3 Th |
Calculated formula | C36 H73 Al Si3 Th |
SMILES | C([AlH]1[H][Th]23456789([cH]%10[c]3([cH]4[cH]5[c]6%10C(C)(C)C)C(C)(C)C)([cH]3[cH]7[c]8([cH]9[c]23C(C)(C)C)C(C)(C)C)[H]1)([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C |
Title of publication | Chemical structure and bonding in a thorium(iii)-aluminum heterobimetallic complex. |
Authors of publication | Altman, Alison B.; Brown, Alexandra C.; Rao, Guodong; Lohrey, Trevor D.; Britt, R. David; Maron, Laurent; Minasian, Stefan G.; Shuh, David K.; Arnold, John |
Journal of publication | Chemical science |
Year of publication | 2018 |
Journal volume | 9 |
Journal issue | 18 |
Pages of publication | 4317 - 4324 |
a | 18.541 ± 0.016 Å |
b | 12.528 ± 0.01 Å |
c | 18.971 ± 0.016 Å |
α | 90° |
β | 105.644 ± 0.009° |
γ | 90° |
Cell volume | 4243 ± 6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0844 |
Residual factor for significantly intense reflections | 0.0477 |
Weighted residual factors for significantly intense reflections | 0.084 |
Weighted residual factors for all reflections included in the refinement | 0.0945 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
Diffraction radiation wavelength | 0.7749 Å |
Diffraction radiation type | synchrotron |
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/1549298.html
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Users of the data should acknowledge the original authors of the
structural data.