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Information card for entry 1547344
Preview
Coordinates | 1547344.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H102 As8 La Na5 O63 Pd12 |
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Calculated formula | C48 H40 As8 La O48 Pd12 |
SMILES | c1(ccccc1)[As]12=[O][Pd]34[O]56[La]789%10%11%12[O]%13%14[Pd]5(O1)O[As]1(=[O][Pd]5%13O[As]%13(=[O][Pd]%15%16[O]%115[Pd]5([O]%11%10[Pd]%10%17O[As]%18(=[O][Pd]%19([O]%207[Pd]6(O2)[O]=[As](O%19)(c2ccccc2)O[Pd]2%20[O]68[Pd]%11([O]=[As](c7ccccc7)(O2)O[Pd]%146O1)O[As](c1ccccc1)(=[O]%17)O5)[O]9%10[Pd]([O]=[As](O3)(c1ccccc1)O%16)([O]4%12%15)O%18)c1ccccc1)O%13)c1ccccc1)c1ccccc1.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O |
Title of publication | Size and Charge Effect of Guest Cations in Formation of Polyoxopalladates: A Theoretical and Experimental Study |
Authors of publication | Lang, Zhongling; Yang, Peng; Lin, Zhengguo; Yan, Li-Kai; Li, Ming-Xing; Carbó, Jorge J.; Kortz, Ulrich; Poblet, Josep M. |
Journal of publication | Chem. Sci. |
Year of publication | 2017 |
a | 15.8839 ± 0.0006 Å |
b | 15.8839 ± 0.0006 Å |
c | 25.1431 ± 0.0019 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 6343.6 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 87 |
Hermann-Mauguin space group symbol | I 4/m |
Hall space group symbol | -I 4 |
Residual factor for all reflections | 0.0639 |
Residual factor for significantly intense reflections | 0.056 |
Weighted residual factors for significantly intense reflections | 0.2025 |
Weighted residual factors for all reflections included in the refinement | 0.2179 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
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/1547344.html
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