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Information card for entry 1572754
Preview
Coordinates | 1572754.cif |
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Original paper (by DOI) | HTML |
Formula | C28 H41 Cl2 N6 O9 P Zn |
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Calculated formula | C28 H41 Cl2 N6 O9 P Zn |
Title of publication | Role of ancillary ligands in <i>S</i>-nitrosothiol and NO generation from nitrite-thiol interactions at mononuclear zinc(ii) sites. |
Authors of publication | Anju, Balakrishnan S.; Nair, Neeraja R.; Rajput, Janavi; Bertke, Jeffery A.; Mondal, Bhaskar; Kundu, Subrata |
Journal of publication | Chemical science |
Year of publication | 2024 |
Journal volume | 15 |
Journal issue | 43 |
Pages of publication | 18000 - 18007 |
a | 11.9275 ± 0.001 Å |
b | 14.57 ± 0.0012 Å |
c | 20.8368 ± 0.0017 Å |
α | 90° |
β | 104.442 ± 0.003° |
γ | 90° |
Cell volume | 3506.7 ± 0.5 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0863 |
Residual factor for significantly intense reflections | 0.0461 |
Weighted residual factors for significantly intense reflections | 0.0971 |
Weighted residual factors for all reflections included in the refinement | 0.1117 |
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 | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
296381 (current) | 2024-12-06 | cif/ Updating files of 1572750, 1572751, 1572752, 1572753, 1572754, 1572755, 1572756, 1572757, 1572758, 1572759, 1572760 Original log message: Adding full bibliography for 1572750--1572760.cif. |
1572754.cif |
295021 | 2024-10-04 | cif/ Adding structures of 1572750, 1572751, 1572752, 1572753, 1572754, 1572755, 1572756, 1572757, 1572758, 1572759, 1572760 via cif-deposit CGI script. |
1572754.cif |
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Users of the data should acknowledge the original authors of the
structural data.