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Information card for entry 4304809
Preview
Coordinates | 4304809.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C44 H38 Cl2 N8 O10 Zn2 |
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Calculated formula | C44 H38 Cl2 N8 O10 Zn2 |
SMILES | C1c2cccc[n]2[Zn]2345[N]1(Cc1[n]3c3c(cc1)cccc3[O]5[Zn]1356[N](Cc7cccc[n]37)(Cc3[n]5c5c(cc3)cccc5[O]46)Cc3[n]1cccc3)Cc1[n]2cccc1.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O |
Title of publication | Modulating Affinities of Di-2-picolylamine (DPA)-Substituted Quinoline Sensors for Zinc Ions by Varying Pendant Ligands |
Authors of publication | Lin Xue; Huan-Huan Wang; Xiao-Jun Wang; Hua Jiang |
Journal of publication | Inorganic Chemistry |
Year of publication | 2008 |
Journal volume | 47 |
Pages of publication | 4310 - 4318 |
a | 9.1049 ± 0.0003 Å |
b | 10.2862 ± 0.0003 Å |
c | 23.2337 ± 0.0007 Å |
α | 90° |
β | 91.9 ± 0.002° |
γ | 90° |
Cell volume | 2174.75 ± 0.12 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273 ± 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 | 0.1514 |
Residual factor for significantly intense reflections | 0.0754 |
Weighted residual factors for significantly intense reflections | 0.158 |
Weighted residual factors for all reflections included in the refinement | 0.1953 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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