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Information card for entry 7708910
Preview
Coordinates | 7708910.cif |
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Original paper (by DOI) | HTML |
Formula | C39 H53 N Si2 |
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Calculated formula | C39 H53 N Si2 |
SMILES | [Si](NCCC)(c1c(cc(cc1C)C)C)(c1c(cc(cc1C)C)C)[SiH](c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C |
Title of publication | NH bond activation of ammonia and amines by ditetrelenes: key insights into the stereochemistry of nucleophilic addition |
Authors of publication | McOnie, Sarah L.; Özpınar, Gül Altınbaş; Bourque, Jeremy L.; Müller, Thomas; Baines, Kim M. |
Journal of publication | Dalton Transactions |
Year of publication | 2021 |
a | 11.803 ± 0.006 Å |
b | 12.244 ± 0.007 Å |
c | 12.493 ± 0.006 Å |
α | 86.15 ± 0.03° |
β | 88.39 ± 0.03° |
γ | 70.61 ± 0.02° |
Cell volume | 1699.2 ± 1.6 Å3 |
Cell temperature | 110 K |
Ambient diffraction temperature | 110 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 | 0.1094 |
Residual factor for significantly intense reflections | 0.0606 |
Weighted residual factors for significantly intense reflections | 0.1424 |
Weighted residual factors for all reflections included in the refinement | 0.1655 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
270842 (current) | 2021-11-24 | cif/ Adding structures of 7708910 via cif-deposit CGI script. |
7708910.cif |
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