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Information card for entry 4121653
Preview
Coordinates | 4121653.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | KM38 |
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Formula | C24 H36 B3 N12 Y |
Calculated formula | C24 H36 B3 N12 Y |
SMILES | [BH2]1n2ccc(C)[n]2[Y]23([n]4n1ccc4C)([n]1c(C)ccn1[BH2]n1ccc(C)[n]21)[n]1c(C)ccn1[BH2]n1ccc(C)[n]31 |
Title of publication | Influence of Pyrazolate vs N-Heterocyclic Carbene Ligands on the Slow Magnetic Relaxation of Homoleptic Trischelate Lanthanide(III) and Uranium(III) Complexes. |
Authors of publication | Meihaus, Katie R.; Minasian, Stefan G.; Lukens, Jr, Wayne W; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Long, Jeffrey R. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Journal volume | 136 |
Journal issue | 16 |
Pages of publication | 6056 - 6068 |
a | 16.0508 ± 0.0008 Å |
b | 16.0508 ± 0.0008 Å |
c | 19.82 ± 0.0011 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 4422.1 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 148 |
Hermann-Mauguin space group symbol | R -3 :H |
Hall space group symbol | -R 3 |
Residual factor for all reflections | 0.0294 |
Residual factor for significantly intense reflections | 0.0248 |
Weighted residual factors for significantly intense reflections | 0.0586 |
Weighted residual factors for all reflections included in the refinement | 0.0603 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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