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Information card for entry 4328044
Preview
Coordinates | 4328044.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H24 N10 O4 S2 Zn |
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Calculated formula | C20 H24 N10 O4 S2 Zn |
SMILES | [Zn]1([n]2c(nccc2)[N-]S(=O)(=O)c2ccc(N)cc2)([n]2c(nccc2)N1S(=O)(=O)c1ccc(N)cc1)([NH3])[NH3] |
Title of publication | Switching from Bonding to Nonbonding: Temperature-Dependent Metal Coordination in a Zinc(II) Sulfadiazine Complex |
Authors of publication | Fangfang Pan; Ruimin Wang; Ulli Englert |
Journal of publication | Inorganic Chemistry |
Year of publication | 2012 |
Journal volume | 51 |
Pages of publication | 769 - 771 |
a | 13.8 ± 0.004 Å |
b | 12.646 ± 0.004 Å |
c | 14.13 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2465.9 ± 1.3 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 6 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0413 |
Residual factor for significantly intense reflections | 0.0344 |
Weighted residual factors for significantly intense reflections | 0.0779 |
Weighted residual factors for all reflections included in the refinement | 0.0821 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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