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Information card for entry 7036221
Preview
Coordinates | 7036221.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Gallium tris[1-tert.-butylthio-3-(diethylamino)propan-2-olate] |
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Formula | C33 H72 Ga N3 O3 S3 |
Calculated formula | C33 H72 Ga N3 O3 S3 |
SMILES | [Ga]12(O[C@H](C[N]1(CC)CC)CSC(C)(C)C)(O[C@H](C[N]2(CC)CC)CSC(C)(C)C)O[C@H](CN(CC)CC)CSC(C)(C)C.[Ga]12(O[C@@H](C[N]1(CC)CC)CSC(C)(C)C)(O[C@@H](C[N]2(CC)CC)CSC(C)(C)C)O[C@@H](CN(CC)CC)CSC(C)(C)C |
Title of publication | Synthesis and characterisation of thioether functionalised gallium and indium alkoxides. |
Authors of publication | Barth, Sven; Biegger, Felix; Puchberger, Michael |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 37 |
Pages of publication | 16439 - 16445 |
a | 10.9239 ± 0.0016 Å |
b | 12.8002 ± 0.0018 Å |
c | 17.47 ± 0.004 Å |
α | 108.527 ± 0.004° |
β | 97.665 ± 0.004° |
γ | 108.69 ± 0.002° |
Cell volume | 2117.5 ± 0.7 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0618 |
Residual factor for significantly intense reflections | 0.0484 |
Weighted residual factors for significantly intense reflections | 0.1365 |
Weighted residual factors for all reflections included in the refinement | 0.1441 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
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/7036221.html
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Users of the data should acknowledge the original authors of the
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