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Information card for entry 7039724
Preview
Coordinates | 7039724.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C80 H116 Ce2 N8 |
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Calculated formula | C80 H116 Ce2 N8 |
SMILES | [Ce]123456789([N](=C(N1C1CCCCC1)C#CC1CC1)C1CCCCC1)([N](=C(N2C1CCCCC1)C#CC1CC1)C1CCCCC1)[CH]12[Ce]%10%11%12%13%14%15%16%17([N](=C(N%10C%10CCCCC%10)C#CC%10CC%10)C%10CCCCC%10)([N](=C(N%16C%10CCCCC%10)C#CC%10CC%10)C%10CCCCC%10)[CH]5=1[CH]6%11=[CH]3%12[CH]4%13=[CH]7%17[CH]8%14=[CH]92%15 |
Title of publication | Five different types of η(8)-cyclooctatetraenyl-lanthanide half-sandwich complexes from one ligand set, including a "giant neodymium wheel". |
Authors of publication | Sroor, Farid M.; Hrib, Cristian G.; Liebing, Phil; Hilfert, Liane; Busse, Sabine; Edelmann, Frank T. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 34 |
Pages of publication | 13332 - 13346 |
a | 21.084 ± 0.004 Å |
b | 13.758 ± 0.003 Å |
c | 26.383 ± 0.005 Å |
α | 90° |
β | 102.71 ± 0.03° |
γ | 90° |
Cell volume | 7465 ± 3 Å3 |
Cell temperature | 143 ± 2 K |
Ambient diffraction temperature | 143 ± 2 K |
Number of distinct elements | 4 |
Space group number | 7 |
Hermann-Mauguin space group symbol | P 1 n 1 |
Hall space group symbol | P -2yac |
Residual factor for all reflections | 0.0324 |
Residual factor for significantly intense reflections | 0.0268 |
Weighted residual factors for significantly intense reflections | 0.0604 |
Weighted residual factors for all reflections included in the refinement | 0.0624 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.972 |
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/7039724.html
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Users of the data should acknowledge the original authors of the
structural data.