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Information card for entry 7207813
Preview
Coordinates | 7207813.cif |
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Original paper (by DOI) | HTML |
Formula | C34 H32 Cd2 N4 O12 S2 |
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Calculated formula | C34 H32 Cd2 N4 O12 S2 |
SMILES | c12ccc(C3=[O][Cd]4([n]5ccccc5c5[n]4cccc5)(O3)(OS(c3ccc(C4=[O][Cd]5([n]6ccccc6c6[n]5cccc6)(OS1=O)([OH2])([OH2])O4)cc3)=O)([OH2])[OH2])cc2 |
Title of publication | Syntheses, crystal structures and luminescent properties of Zn(ii)/Cd(ii) supramolecular complexes incorporating 4-sulfinobenzoate and its in situ oxidized ligand |
Authors of publication | Wang, Huang; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan |
Journal of publication | CrystEngComm |
Year of publication | 2012 |
Journal volume | 14 |
Journal issue | 10 |
Pages of publication | 3501 |
a | 7.7849 ± 0.0016 Å |
b | 9.839 ± 0.002 Å |
c | 12.367 ± 0.003 Å |
α | 76.16 ± 0.03° |
β | 84 ± 0.03° |
γ | 71.71 ± 0.03° |
Cell volume | 872.8 ± 0.4 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 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 | 0.032 |
Residual factor for significantly intense reflections | 0.0264 |
Weighted residual factors for significantly intense reflections | 0.0711 |
Weighted residual factors for all reflections included in the refinement | 0.0807 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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