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Information card for entry 4325860
Preview
Coordinates | 4325860.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C41.5 H115.2 K1.3 N8.3 Na3.2 O111.6 P2 Pr W22 |
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Calculated formula | C20 K N4 Na O98 P2 Pr W22 |
SMILES | C(=O)([C@@H]1CCCN1)[O-].C(=O)([C@@H]1CCCN1)[O-].[K+].O.O=C([C@H]1NCCC1)[O-].O.[Na+].O1[W]234(=O)=[O][Pr]56789([O]=[W]%10%11%12(=O)O[W]%13%14(O[W]%151(=O)O[W]1%16(O[W]%17(O2)([O]2P%18(=[O]%12[W]%12(=O)(O[W]2(O%17)(O[W]2%17(O%12)(=O)[O]%12%18[W](O%10)(O%14)(=O)(O%17)O[W]%12(O1)(O2)(=O)O%15)(=O)O%16)(O%11)=[O]8)[O]3%13)(=[O]5)=O)=O)(O4)=O)[O]=[W]123([O]4P58=[O][W]%10%11%12(O[W]%13%14([O]5[W]5(O[W]%154(O1)(O[W]14(O5)([O]58[W]8(O1)(O[W](O2)(O%15)(=O)O[W](O%11)(O8)(O[W](=[O]7)(=O)(O3)O%12)=O)(=O)O[W]5(O%14)(O%10)(=O)O4)=O)=O)(=[O]6)(O%13)=O)(=O)=[O]9)=O)=O.O.O.O.O.O.O=C([C@H]1NCCC1)[O-].O.O.O.O.O |
Title of publication | Enantioselective Resolutions and Circular Dichroism Studies of Lanthanide-Containing Keggin-Type [Ln(PW11O39)2]11- Polyoxometalates |
Authors of publication | Haruo Naruke; Jun Iijima; Takanobu Sanji |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 7535 - 7539 |
a | 12.8016 ± 0.0004 Å |
b | 13.2173 ± 0.0005 Å |
c | 19.7108 ± 0.0007 Å |
α | 103.714 ± 0.0012° |
β | 92.5694 ± 0.0013° |
γ | 97.6599 ± 0.0012° |
Cell volume | 3201 ± 0.2 Å3 |
Cell temperature | 203 K |
Ambient diffraction temperature | 203 K |
Number of distinct elements | 9 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for significantly intense reflections | 0.043 |
Weighted residual factors for all reflections included in the refinement | 0.1425 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
Diffraction radiation wavelength | 0.71075 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/4325860.html
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