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Information card for entry 4331588
Preview
Coordinates | 4331588.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C44 H28 Cl2 N8 O8 Zn |
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Calculated formula | C44 H28 Cl2 N8 O8 Zn |
SMILES | [Zn]1234([n]5ccccc5c5[n]1c1c(cc5)ccc5c1[n]2c(cc5)c1ncccc1)[n]1ccccc1c1[n]3c2c(cc1)ccc1c2[n]4c(cc1)c1ncccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-] |
Title of publication | Selectivity of the Highly Preorganized Tetradentate Ligand 2,9-Di(pyrid-2-yl)-1,10-phenanthroline for Metal Ions in Aqueous Solution, Including Lanthanide(III) Ions and the Uranyl(VI) Cation |
Authors of publication | Ashley N. Carolan; Gregory M. Cockrell; Neil J. Williams; Gang Zhang; Donald G. VanDerveer; Hee-Seung Lee; Randolph P. Thummel; Robert D. Hancock |
Journal of publication | Inorganic Chemistry |
Year of publication | 2013 |
Journal volume | 52 |
Pages of publication | 15 - 27 |
a | 7.8346 ± 0.0016 Å |
b | 10.333 ± 0.002 Å |
c | 23.502 ± 0.005 Å |
α | 79.51 ± 0.03° |
β | 80.43 ± 0.03° |
γ | 76.1 ± 0.03° |
Cell volume | 1801 ± 0.7 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 6 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.0679 |
Residual factor for significantly intense reflections | 0.0507 |
Weighted residual factors for significantly intense reflections | 0.095 |
Weighted residual factors for all reflections included in the refinement | 0.1062 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4331588.html
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