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Information card for entry 1551885
Preview
Coordinates | 1551885.cif |
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Original paper (by DOI) | HTML |
Formula | C23 H24 Cl2 N6 O10 Zn |
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Calculated formula | C23 H24 Cl2 N6 O10 Zn |
SMILES | [Zn]12(OC(=C(N=[N]1c1cccc3ccc[n]2c13)c1[nH+]cccc1C)OCC)([N]#CC)[N]#CC.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-] |
Title of publication | A switching cascade of hydrazone-based rotary switches through coordination-coupled proton relays |
Authors of publication | Debdas Ray; Justin T. Foy; Russell P. Hughes; Ivan Aprahamian |
Journal of publication | Nature Chemistry |
Year of publication | 2012 |
Journal volume | 4 |
Pages of publication | 757 - 762 |
a | 7.7908 ± 0.0008 Å |
b | 12.9951 ± 0.0013 Å |
c | 15.0442 ± 0.0015 Å |
α | 65.683 ± 0.001° |
β | 84.903 ± 0.001° |
γ | 86.633 ± 0.001° |
Cell volume | 1382.1 ± 0.2 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0432 |
Residual factor for significantly intense reflections | 0.0326 |
Weighted residual factors for significantly intense reflections | 0.0803 |
Weighted residual factors for all reflections included in the refinement | 0.0866 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
216527 (current) | 2019-06-25 | cif/ Adding structures of 1551885 via cif-deposit CGI script. |
1551885.cif |
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