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Information card for entry 1572756
Preview
Coordinates | 1572756.cif |
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Original paper (by DOI) | HTML |
Formula | C22 H26 Cl N7 O6 Zn |
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Calculated formula | C22 H26 Cl N7 O6 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 | 14.0967 ± 0.0009 Å |
b | 11.9311 ± 0.0008 Å |
c | 14.7941 ± 0.0009 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2488.2 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 52 |
Hermann-Mauguin space group symbol | P n n a |
Hall space group symbol | -P 2a 2bc |
Residual factor for all reflections | 0.0408 |
Residual factor for significantly intense reflections | 0.0304 |
Weighted residual factors for significantly intense reflections | 0.0781 |
Weighted residual factors for all reflections included in the refinement | 0.0846 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
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. |
1572756.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. |
1572756.cif |
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Users of the data should acknowledge the original authors of the
structural data.