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Information card for entry 7053453
Preview
Coordinates | 7053453.cif |
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Original paper (by DOI) | HTML |
Formula | C39 H69 Ca N3 O Si2 |
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Calculated formula | C39 H69 Ca N3 O Si2 |
SMILES | [Ca]1([O](CC)CC)(N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)N([Si](C)(C)C)[Si](C)(C)C |
Title of publication | Synthesis of β-diketiminato calcium silylamides and their reactions with triethylaluminium |
Authors of publication | Crimmin, Mark R.; Hill, Michael S.; Hitchcock, Peter B.; Mahon, Mary F. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2010 |
Journal volume | 34 |
Journal issue | 8 |
Pages of publication | 1572 |
a | 12.0817 ± 0.0001 Å |
b | 19.7073 ± 0.0003 Å |
c | 18.584 ± 0.0002 Å |
α | 90° |
β | 108.699 ± 0.001° |
γ | 90° |
Cell volume | 4191.25 ± 0.09 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0889 |
Residual factor for significantly intense reflections | 0.0496 |
Weighted residual factors for significantly intense reflections | 0.1291 |
Weighted residual factors for all reflections included in the refinement | 0.1526 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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