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Information card for entry 4084771
Preview
Coordinates | 4084771.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C86 H92 Al4 N10 O2 Sm2 |
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Calculated formula | C86 H92 Al4 N10 O2 Sm2 |
SMILES | C(C)[Al]12[O]3[Sm]45([n]6c([Al](c7[n]5cccc7)(c5[n]4cccc5)CC)cccc6)([n]4c1cccc4)([n]1c2cccc1)[O]1[Al]2(CC)c4[n](cccc4)[Sm]4531([n]1c([Al](CC)(c3[n]5cccc3)c3[n]4cccc3)cccc1)[n]1c2cccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1 |
Title of publication | Formation of a Heterometallic AlIII/SmIIIComplex Involving a Novel [EtAl(2-py)2O]2‒Ligand (2-py = 2-Pyridyl) |
Authors of publication | García-Rodríguez, Raúl; Simmonds, Hayley R.; Wright, Dominic S. |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 24 |
Pages of publication | 7113 |
a | 12.8425 ± 0.0001 Å |
b | 12.9959 ± 0.0001 Å |
c | 14.3642 ± 0.0002 Å |
α | 93.539 ± 0.001° |
β | 99.712 ± 0.001° |
γ | 116.661 ± 0.001° |
Cell volume | 2085.92 ± 0.04 Å3 |
Cell temperature | 180 ± 2 K |
Ambient diffraction temperature | 180 ± 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 | 0.0457 |
Residual factor for significantly intense reflections | 0.0424 |
Weighted residual factors for significantly intense reflections | 0.1176 |
Weighted residual factors for all reflections included in the refinement | 0.1207 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
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/4084771.html
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Users of the data should acknowledge the original authors of the
structural data.