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Information card for entry 7209780
Preview
Coordinates | 7209780.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C66 H86 Ce2 N12 O34 |
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Calculated formula | C66 H78 Ce2 N12 O30 |
SMILES | c12c3cccc1/C=[NH+]/[C@H]1CCCC[C@H]1/[NH+]=C/c1c(O[Ce]45(O2)([O]3C)(Oc2c(cccc2OC)/C=[NH+]/[C@@H]2CCCC[C@H]2/[NH+]=C/c2c(O[Ce]3678(Oc9c(cccc9/C=[NH+]/[C@H]9CCCC[C@H]9/[NH+]=Cc9cccc(OC)c9O6)[O]3C)(ON(=O)=[O]7)(ON(=O)=O)[O]=N(=O)O8)c(OC)ccc2)(ON(=[O]4)=O)(ON(=O)=O)[O]=N(=O)O5)c(OC)ccc1 |
Title of publication | Crystal engineering of salen type cerium complexes tuned by various cerium counterions |
Authors of publication | Gao, Bo; Zhang, Qian; Yan, Pengfei; Hou, Guangfeng; Li, Guangming |
Journal of publication | CrystEngComm |
Year of publication | 2013 |
Journal volume | 15 |
Journal issue | 20 |
Pages of publication | 4167 |
a | 32.547 ± 0.001 Å |
b | 17.5335 ± 0.0006 Å |
c | 13.7923 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 7870.8 ± 0.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 60 |
Hermann-Mauguin space group symbol | P b c n |
Hall space group symbol | -P 2n 2ab |
Residual factor for all reflections | 0.1123 |
Residual factor for significantly intense reflections | 0.056 |
Weighted residual factors for significantly intense reflections | 0.0885 |
Weighted residual factors for all reflections included in the refinement | 0.1057 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.966 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7209780.html
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structural data.