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Information card for entry 7708958
Preview
Coordinates | 7708958.cif |
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Original paper (by DOI) | HTML |
Formula | C42 H61 Mg N3 O Si |
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Calculated formula | C42 H61 Mg N3 O Si |
SMILES | [Si](O[Mg]1([N](=C(C)C=C(N1c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C)C#[N]C(C)(C)C)(c1ccccc1)(C)C |
Title of publication | Isocyanate deoxygenation by a molecular magnesium silanide. |
Authors of publication | Okokhere-Edeghoghon, Bibian; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2021 |
Journal volume | 51 |
Journal issue | 1 |
Pages of publication | 136 - 144 |
a | 11.6235 ± 0.0001 Å |
b | 17.5314 ± 0.0001 Å |
c | 20.1961 ± 0.0001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4115.49 ± 0.05 Å3 |
Cell temperature | 150 ± 0.1 K |
Ambient diffraction temperature | 150 ± 0.1 K |
Number of distinct elements | 6 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0315 |
Residual factor for significantly intense reflections | 0.0306 |
Weighted residual factors for significantly intense reflections | 0.0844 |
Weighted residual factors for all reflections included in the refinement | 0.0853 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
272661 (current) | 2022-02-04 | cif/ Updating files of 7708958, 7708959, 7708960 Original log message: Adding full bibliography for 7708958--7708960.cif. |
7708958.cif |
270923 | 2021-11-30 | cif/ Adding structures of 7708958, 7708959, 7708960 via cif-deposit CGI script. |
7708958.cif |
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Users of the data should acknowledge the original authors of the
structural data.