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Information card for entry 7113074
Preview
Coordinates | 7113074.cif |
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Original paper (by DOI) | HTML |
Formula | C38 H40 N Nd O10 |
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Calculated formula | C38 H40 N Nd O10 |
SMILES | [Nd]123([O]=C(C)C=C(O1)c1ccc(OC)cc1)([n]1ccccc1)([O]=C(C)C=C(O2)c1ccc(OC)cc1)(OC(=CC(=[O]3)c1ccc(OC)cc1)C)[OH2] |
Title of publication | Monitoring the stepwise assembly of a 3-D framework from a supramolecular lanthanoid synthon by in situ infrared spectroscopy. |
Authors of publication | Andrews, Philip C.; Gee, William J.; Junk, Peter C.; Krautscheid, Harald; MacLellan, Jonathan G. |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2010 |
Journal volume | 46 |
Journal issue | 32 |
Pages of publication | 5948 - 5950 |
a | 15.944 ± 0.003 Å |
b | 17.819 ± 0.004 Å |
c | 12.906 ± 0.003 Å |
α | 90° |
β | 93.01 ± 0.03° |
γ | 90° |
Cell volume | 3661.6 ± 1.4 Å3 |
Cell temperature | 180 ± 2 K |
Ambient diffraction temperature | 180 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1366 |
Residual factor for significantly intense reflections | 0.0759 |
Weighted residual factors for significantly intense reflections | 0.1711 |
Weighted residual factors for all reflections included in the refinement | 0.1979 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.927 |
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/7113074.html
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Users of the data should acknowledge the original authors of the
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