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Information card for entry 4329085
Preview
Coordinates | 4329085.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [Sm(C5-BPP)(NO3)3(DMF)] |
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Formula | C33 H57 N12 O13 Sm |
Calculated formula | C33 H57 N12 O13 Sm |
SMILES | CC(C)(C)Cc1cc2c3cccc4c5cc(CC(C)(C)C)[nH][n]5[Sm]567([n]2[nH]1)([n]34)(ON(=[O]5)=O)([O]=N(=O)O7)([O]=N(=O)O6)[O]=CN(C)C.C(=O)N(C)C.C(=O)N(C)C.C(=O)N(C)C |
Title of publication | 2,6-Bis(5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl)pyridine as a Ligand for Efficient Actinide(III)/Lanthanide(III) Separation |
Authors of publication | Antje Bremer; Christian M. Ruff; Denise Girnt; Udo Müllich; Jörg Rothe; Peter W. Roesky; Petra J. Panak; Alexei Karpov; Thomas J. J. Müller; Melissa A. Denecke; Andreas Geist |
Journal of publication | Inorganic Chemistry |
Year of publication | 2012 |
Journal volume | 51 |
Pages of publication | 5199 - 5207 |
a | 9.987 ± 0.0006 Å |
b | 16.228 ± 0.001 Å |
c | 16.264 ± 0.0011 Å |
α | 115.42 ± 0.005° |
β | 100.09 ± 0.005° |
γ | 98.44 ± 0.005° |
Cell volume | 2269.7 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.0642 |
Residual factor for significantly intense reflections | 0.0476 |
Weighted residual factors for significantly intense reflections | 0.1129 |
Weighted residual factors for all reflections included in the refinement | 0.1194 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.968 |
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/4329085.html
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Users of the data should acknowledge the original authors of the
structural data.