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Information card for entry 7045060
Preview
Coordinates | 7045060.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C2 H38 K4 Na14 O110 Se6 Sn W24 |
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Calculated formula | C2 K2 Na2 O101 Se6 Sn W24 |
SMILES | [W]123(O[W]456(O[W]789([O]%10[W](O7)(O1)(=O)(=O)O[W]1([O]7[W]%11(=O)(O1)(O[W]1%12(O[W]%13(O[Sn]%14(C)(C)(O[W]%15%16(O[W]%17(O[W]%18%19([O]([W](O[Se](=O)O%18)(O4)(O3)(O%19)=O)[Se](=[O]25)[O]%16%17)(O%15)=O)(O1)(O6)=O)(=O)O%13)O[W]123(O[W]456(O[W]%13%15%16([O]%17[W](O%13)(O1)(=O)(O%14)O[W]1([O]%13[W]%14(=O)(O1)(O[W]1%18(O[W](=O)(=O)(O%14)([O]%18=[Se]%17%13)O[W]%13%14(O[W]%17(O[W]%18%19([O]([W](O[Se](=O)O%18)(O4)(O3)(O%19)=O)[Se](=[O]25)[O]%14%17)(O%13)=O)(O1)(O6)=O)(=O)=O)(O%15)=O)=O)(=O)(O%16)=O)=O)=O)=O)(=O)(O%11)[O]%12=[Se]%107)(O8)=O)=O)(=O)(O9)=O)=O)=O)(=O)=O.[K+].[Na+].O.O.O.O.[K+].[Na+].O.O.O |
Title of publication | Dimethyltin-Functionalized Cyclic Selenotungstates based on {Se2W12} Units |
Authors of publication | Chen, Wei-Chao; Wu, Si-Tong; Wang, Xinlong; Qin, Chao; Su, Zhong-Min; Shao, Kui-Zhan; Wang, Enbo |
Journal of publication | Dalton Transactions |
Year of publication | 2017 |
a | 18.766 ± 0.005 Å |
b | 19.585 ± 0.005 Å |
c | 21.347 ± 0.005 Å |
α | 90° |
β | 114.046 ± 0.004° |
γ | 90° |
Cell volume | 7165 ± 3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 8 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1226 |
Residual factor for significantly intense reflections | 0.0725 |
Weighted residual factors for significantly intense reflections | 0.1869 |
Weighted residual factors for all reflections included in the refinement | 0.2168 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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