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Information card for entry 4122687
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4122687.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C75 H60 Ce Er N10 O19 |
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Calculated formula | C75 H60 Ce Er N10 O19 |
SMILES | [Er]123456([O]7[Ce]89%10%11%12([OH]C(=O)c%13[n]%12c(ccc%13)C([O]18)=CC(=[O]2)c1ccccc1O)(OC(=O)c1[n]9c(ccc1)C7=CC(=[O]4)c1ccccc1O)([O]6C(c1[n]3c(C(=O)O5)ccc1)=CC(=[O]%10)c1ccccc1O)ON(=[O]%11)=O)([OH2])[n]1ccccc1.n1ccccc1.n1ccccc1.n1ccccc1.n1ccccc1.n1ccccc1 |
Title of publication | Heterodimetallic [LnLn'] Lanthanide Complexes: Toward a Chemical Design of Two-Qubit Molecular Spin Quantum Gates. |
Authors of publication | Aguilà, David; Barrios, Leoní A; Velasco, Verónica; Roubeau, Olivier; Repollés, Ana; Alonso, Pablo J.; Sesé, Javier; Teat, Simon J.; Luis, Fernando; Aromí, Guillem |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Journal volume | 136 |
Journal issue | 40 |
Pages of publication | 14215 |
a | 14.5502 ± 0.0003 Å |
b | 15.8974 ± 0.0003 Å |
c | 35.5552 ± 0.0009 Å |
α | 90° |
β | 112.521 ± 0.002° |
γ | 90° |
Cell volume | 7597.1 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
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 | 0.117 |
Residual factor for significantly intense reflections | 0.0569 |
Weighted residual factors for significantly intense reflections | 0.1101 |
Weighted residual factors for all reflections included in the refinement | 0.1208 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.921 |
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/4122687.html
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