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Information card for entry 2204205
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Coordinates | 2204205.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | diaquaocta-μ-α-methylacrylato-di-α-methylacrylatodipyridinediceriumdizinc |
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Formula | C50 H64 Ce2 N2 O22 Zn2 |
Calculated formula | C50 H64 Ce2 N2 O22 Zn2 |
SMILES | C1(=[O][Zn]2([O]=C(C(C)=C)O[Ce]345(O1)(OC(C(=C)C)=[O]2)([O]=C([O]3[Ce]1236(OC(C(=C)C)=[O][Zn]([n]7ccccc7)([O]=C(C(=C)C)O1)[O]=C(C(C)=C)O2)([O]=C([O]53)C(=C)C)([O]=C(C(=C)C)O6)[OH2])C(=C)C)([O]=C(C(=C)C)O4)[OH2])[n]1ccccc1)C(=C)C |
Title of publication | A tetranuclear zinc‒cerium complex: diaquaocta-μ-α-methylacrylato-di-α-methylacrylatodipyridinediceriumdizinc |
Authors of publication | Wu, Bin; Guo, Yong-Sheng |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2004 |
Journal volume | 60 |
Journal issue | 9 |
Pages of publication | m1261 - m1263 |
a | 11.0788 ± 0.0003 Å |
b | 11.9997 ± 0.0003 Å |
c | 12.4604 ± 0.0004 Å |
α | 99.336 ± 0.001° |
β | 106.3 ± 0.001° |
γ | 101.556 ± 0.001° |
Cell volume | 1515.09 ± 0.08 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273 ± 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 | 0.0314 |
Residual factor for significantly intense reflections | 0.0241 |
Weighted residual factors for significantly intense reflections | 0.0541 |
Weighted residual factors for all reflections included in the refinement | 0.0564 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2204205.html
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