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Information card for entry 7024918
Preview
Coordinates | 7024918.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C64 H98 Al2 O4 S2 |
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Calculated formula | C64 H98 Al2 O4 S2 |
SMILES | [Al]12345[O](c6c(cc(cc6[S]4c4c(O3)c(cc(c4)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)[Al]([O]1c1c(cc(cc1[S]5c1c(O2)c(cc(c1)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)(CC(C)C)CC(C)C |
Title of publication | Aluminium complexes derived from tridentate thioetherbis(phenolate) ligands and their activity in Diels-Alder catalysis. |
Authors of publication | Tiempos-Flores, Norma; Metta-Magaña, Alejandro-José; Montiel-Palma, Virginia; Cortés-Llamas, Sara-Angélica; Muñoz-Hernández, Miguel-Angel |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2010 |
Journal volume | 39 |
Journal issue | 18 |
Pages of publication | 4312 - 4320 |
a | 9.0701 ± 0.0007 Å |
b | 16.2602 ± 0.0012 Å |
c | 21.6729 ± 0.0016 Å |
α | 91.467 ± 0.001° |
β | 101.79 ± 0.001° |
γ | 90.219 ± 0.001° |
Cell volume | 3127.8 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0846 |
Residual factor for significantly intense reflections | 0.0809 |
Weighted residual factors for significantly intense reflections | 0.1761 |
Weighted residual factors for all reflections included in the refinement | 0.178 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.106 |
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/7024918.html
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Users of the data should acknowledge the original authors of the
structural data.