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Information card for entry 4337521
Preview
Coordinates | 4337521.cif |
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Original paper (by DOI) | HTML |
Formula | C28 H44 Br2 N2 O6 Zn2 |
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Calculated formula | C28 H44 Br2 N2 O6 Zn2 |
Title of publication | Influence of the coordination environment of zinc(II) complexes of designed Mannich ligands on phosphatase activity: a combined experimental and theoretical study. |
Authors of publication | Sanyal, Ria; Guha, Averi; Ghosh, Totan; Mondal, Tapan Kumar; Zangrando, Ennio; Das, Debasis |
Journal of publication | Inorganic chemistry |
Year of publication | 2014 |
Journal volume | 53 |
Journal issue | 1 |
Pages of publication | 85 - 96 |
a | 9.936 ± 0.003 Å |
b | 15.907 ± 0.004 Å |
c | 11.429 ± 0.003 Å |
α | 90° |
β | 115.753 ± 0.003° |
γ | 90° |
Cell volume | 1627 ± 0.8 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0575 |
Residual factor for significantly intense reflections | 0.045 |
Weighted residual factors for significantly intense reflections | 0.116 |
Weighted residual factors for all reflections included in the refinement | 0.1233 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
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/4337521.html
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