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Information card for entry 7006745
Preview
Coordinates | 7006745.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H54 Li2 N4 O2 |
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Calculated formula | C36 H54 Li2 N4 O2 |
SMILES | [Li]1([O]2CCCC2)[N]2[C@@H]3CCCC[C@H]3[N](=C([N]1c1ccccc1)C(C)(C)C)[Li]([N](=C2C(C)(C)C)c1ccccc1)[O]1CCCC1.[Li]1([O]2CCCC2)[N]2[C@H]3CCCC[C@@H]3[N](=C([N]1c1ccccc1)C(C)(C)C)[Li]([N](=C2C(C)(C)C)c1ccccc1)[O]1CCCC1 |
Title of publication | Racemic N-aryl bis(amidines) and bis(amidinates): on the trail of enantioselective organolanthanide catalysts. |
Authors of publication | Hill, Michael S.; Hitchcock, Peter B.; Mansell, Stephen M. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2006 |
Journal issue | 12 |
Pages of publication | 1544 - 1553 |
a | 17.8471 ± 0.0009 Å |
b | 11.3986 ± 0.0006 Å |
c | 17.6595 ± 0.001 Å |
α | 90° |
β | 93.964 ± 0.003° |
γ | 90° |
Cell volume | 3583.9 ± 0.3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0976 |
Residual factor for significantly intense reflections | 0.0603 |
Weighted residual factors for significantly intense reflections | 0.1432 |
Weighted residual factors for all reflections included in the refinement | 0.166 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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structural data.