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Information card for entry 7104282
Preview
Coordinates | 7104282.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | (Zr2Cp2(/n2-OH)2(H2O)6(OSO2C6F5)4(H2O)6) |
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Chemical name | [Zr2Cp2(/n2-OH)2(H2O)6(OSO2C6F5)4(H2O)6] |
Formula | C34 H36 F20 O26 S4 Zr2 |
Calculated formula | C34 H36 F20 O26 S4 Zr2 |
SMILES | [cH]12[cH]3[Zr]4562([cH]1[cH]4[cH]35)([OH2])([OH2])([OH][Zr]1234([cH]5[cH]4[cH]3[cH]2[cH]15)([OH]6)([OH2])([OH2])[OH2])[OH2].c1(S(=O)(=O)[O-])c(F)c(c(c(c1F)F)F)F.Fc1c(S(=O)(=O)[O-])c(c(c(c1F)F)F)F.O.O.O.c1(c(c(c(F)c(F)c1F)F)F)S(=O)(=O)[O-].Fc1c(S(=O)(=O)[O-])c(c(F)c(F)c1F)F.O.O.O |
Title of publication | Synthesis and structure of air-stable Lewis acidic binuclear complex of zirconocene pentafluorophenylsulfonate and its catalytic application in the allylation of carbonyl compounds with tetraallyltin. |
Authors of publication | Qiu, Renhua; Xu, Xinhua; Li, Yinhui; Zhang, Guoping; Shao, Lingling; An, Delie; Yin, Shuangfeng |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2009 |
Journal volume | 34 |
Journal issue | 13 |
Pages of publication | 1679 - 1681 |
a | 15.4274 ± 0.0009 Å |
b | 12.0826 ± 0.0007 Å |
c | 29.1463 ± 0.0017 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5433 ± 0.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0571 |
Residual factor for significantly intense reflections | 0.044 |
Weighted residual factors for significantly intense reflections | 0.1185 |
Weighted residual factors for all reflections included in the refinement | 0.1249 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
Diffraction radiation wavelength | 0.71073 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/7104282.html
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