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Information card for entry 7013401
Preview
Coordinates | 7013401.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H40 N8 O10 S4 Zn2 |
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Calculated formula | C20 H40 N8 O10 S4 Zn2 |
SMILES | C(NC)(NC)=[S][Zn]1(OC(=O)C=CC(=O)O[Zn](OC(=O)C=CC(=O)O1)([S]=C(NC)NC)[S]=C(NC)NC)[S]=C(NC)NC.O.O |
Title of publication | Zinc dicarboxylate polymers and dimers: thiourea substitution as a tool in supramolecular synthesis |
Authors of publication | Burke, Nichola J.; Burrows, Andrew D.; Donovan, Adele S.; Harrington, Ross W.; Mahon, Mary F.; Price, Caroline E. |
Journal of publication | Dalton Transactions |
Year of publication | 2003 |
Journal issue | 20 |
Pages of publication | 3840 |
a | 8.264 ± 0.002 Å |
b | 9.642 ± 0.002 Å |
c | 11.199 ± 0.002 Å |
α | 78.46 ± 0.02° |
β | 76.48 ± 0.02° |
γ | 83.75 ± 0.01° |
Cell volume | 848.3 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0386 |
Residual factor for significantly intense reflections | 0.0293 |
Weighted residual factors for significantly intense reflections | 0.0703 |
Weighted residual factors for all reflections included in the refinement | 0.073 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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