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Information card for entry 1517444
Preview
Coordinates | 1517444.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C100 H120 B N6 O3 Tb2 |
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Calculated formula | C100 H120 B N6 O3 Tb2 |
SMILES | [Tb]123456789%10([n]%11ccccc%11c%11[n]1c(c1[n]%12[Tb]%13%14%15%16%17%18%19%20([n]%21ccccc%21c%11%12)([n]%11ccccc1%11)([c]1([c]%15([c]%14([c]%13([c]1%19C)C)C)C)C)[c]1([c]%16([c]%17([c]%18([c]1%20C)C)C)C)C)c1[n]2cccc1)([c]1([c]6([c]5([c]4([c]31C)C)C)C)C)[c]1([c]9([c]8([c]%10([c]71C)C)C)C)C.O1CCCC1.O1CCCC1.O1CCCC1.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | Exchange coupling and magnetic blocking in dilanthanide complexes bridged by the multi-electron redox-active ligand 2,3,5,6-tetra(2-pyridyl)pyrazine |
Authors of publication | Demir, Selvan; Nippe, Michael; Gonzalez, Miguel I.; Long, Jeffrey R. |
Journal of publication | Chem. Sci. |
Year of publication | 2014 |
Journal volume | 5 |
Journal issue | 12 |
Pages of publication | 4701 |
a | 16.095 ± 0.0007 Å |
b | 17.7564 ± 0.0009 Å |
c | 18.5863 ± 0.0009 Å |
α | 115.256 ± 0.002° |
β | 105.236 ± 0.002° |
γ | 103.493 ± 0.002° |
Cell volume | 4256.5 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0361 |
Residual factor for significantly intense reflections | 0.0327 |
Weighted residual factors for significantly intense reflections | 0.0727 |
Weighted residual factors for all reflections included in the refinement | 0.0738 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.221 |
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/1517444.html
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Users of the data should acknowledge the original authors of the
structural data.