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Information card for entry 7023101
Preview
Coordinates | 7023101.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C47.5 H52 Cd Cl2 N6 O11.5 |
---|---|
Calculated formula | C47.5 H45 Cd Cl2 N6 O11.5 |
SMILES | [Cd]12345([OH]C)[N]([C@@H]6CCCC[C@H]6[N]1(Cc1[n]4ccc4ccccc14)Cc1[n]5ccc4ccccc14)(Cc1[n]2ccc2ccccc12)Cc1[n]3ccc2ccccc12.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O.O.[Cd]12345([OH]C)[N]([C@H]6CCCC[C@@H]6[N]1(Cc1[n]4ccc4ccccc14)Cc1[n]5ccc4ccccc14)(Cc1[n]2ccc2ccccc12)Cc1[n]3ccc2ccccc12.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].OC.O.O |
Title of publication | Quinoline-based fluorescent zinc sensors with enhanced fluorescence intensity, Zn/Cd selectivity and metal binding affinity by conformational restriction. |
Authors of publication | Mikata, Yuji; Sato, Yumi; Takeuchi, Saaya; Kuroda, Yasuko; Konno, Hideo; Iwatsuki, Satoshi |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2013 |
Journal volume | 42 |
Journal issue | 26 |
Pages of publication | 9688 - 9698 |
a | 27.2692 ± 0.0007 Å |
b | 16.0487 ± 0.0003 Å |
c | 22.2666 ± 0.0005 Å |
α | 90° |
β | 105.895 ± 0.001° |
γ | 90° |
Cell volume | 9372.1 ± 0.4 Å3 |
Cell temperature | 123 K |
Ambient diffraction temperature | 123 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 significantly intense reflections | 0.0601 |
Weighted residual factors for all reflections included in the refinement | 0.1683 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
Diffraction radiation wavelength | 0.7107 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/7023101.html
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