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Information card for entry 7106108
Preview
Coordinates | 7106108.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C62 H55 Cl12 N12 O11.5 |
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Calculated formula | C62.01 H52.03 Cl12 N12 O11.5 |
Title of publication | A remarkably flexible and selective receptor for Ba2+ amplified from a hydrazone dynamic combinatorial library |
Authors of publication | Jorg M. Klein; Vittorio Saggiomo; Lisa Reck; Mary McPartlin; G. Dan Pantos; Ulrich Luning; Jeremy K. M. Sanders |
Journal of publication | Chem.Commun. |
Year of publication | 2011 |
Journal volume | 47 |
Pages of publication | 3371 |
a | 14.445 ± 0.003 Å |
b | 16.454 ± 0.003 Å |
c | 16.977 ± 0.003 Å |
α | 67.62 ± 0.03° |
β | 73.33 ± 0.03° |
γ | 86.05 ± 0.03° |
Cell volume | 3570.6 ± 1.5 Å3 |
Cell temperature | 180 ± 2 K |
Ambient diffraction temperature | 180 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0833 |
Residual factor for significantly intense reflections | 0.0749 |
Weighted residual factors for significantly intense reflections | 0.192 |
Weighted residual factors for all reflections included in the refinement | 0.1992 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7106108.html
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Users of the data should acknowledge the original authors of the
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