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Information card for entry 1546174
Preview
Coordinates | 1546174.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H47 Al Si3 Ti2 |
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Calculated formula | C30 H47 Al Si3 Ti2 |
SMILES | [Ti]123456789%10([c]%11([cH]2[cH]4[cH]3[cH]1%11)[Al](C([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)([c]12[Ti]34%11%12%13%14%15([cH]1[cH]%12[cH]%15[cH]2%13)([cH]1[cH]3[cH]%14[cH]4[cH]1%11)[H]9)[H]%10)[cH]1[cH]7[cH]5[cH]6[cH]81 |
Title of publication | Hydride oxidation from a titanium‒aluminum bimetallic complex: insertion, thermal and electrochemical reactivity |
Authors of publication | Brown, Alexandra C.; Altman, Alison B.; Lohrey, Trevor D.; Hohloch, Stephan; Arnold, John |
Journal of publication | Chem. Sci. |
Year of publication | 2017 |
a | 13.9593 ± 0.0011 Å |
b | 26.812 ± 0.002 Å |
c | 9.5669 ± 0.0006 Å |
α | 90° |
β | 90.391 ± 0.004° |
γ | 90° |
Cell volume | 3580.6 ± 0.4 Å3 |
Cell temperature | 104 ± 2 K |
Ambient diffraction temperature | 104 ± 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 | 0.0745 |
Residual factor for significantly intense reflections | 0.0484 |
Weighted residual factors for significantly intense reflections | 0.1128 |
Weighted residual factors for all reflections included in the refinement | 0.1201 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.945 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1546174.html
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