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Information card for entry 7214037
Preview
Coordinates | 7214037.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H62 Cl K Mo12 N20 Nd O76 P |
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Calculated formula | C30 H30 Cl K Mo12 N20 Nd O64 P |
SMILES | C12=[O][Nd]345([O]=C6N7CN1C1(N8C(=[O][K]9%10%11%12[OH2])N%13C1(N2CN1C(N2C%14(C1(N(C%13)C(=[O]9)N%14CN1C9(N(C2)C(N2CN%13C(N%14C%15(N(C(=[O]%10)N(C%13%14O)CN(C92O)C1=[O]%11)CN1C(=[O]%12)N(C8)C7(C1(N6C%15)O)O)O)=[O]3)=[O]5)O)O)O)=[O]4)O)O)(Cl)([OH2])[OH2].P123=[O]45[Mo]678(O[Mo]9%10%11(O[Mo]%12%13%14(O[Mo]%154(O6)(O[Mo]46(O[Mo]%16%17%18([O]14[Mo]1(O%17)(O[Mo]4%17(O[Mo]%19(O%18)(O[Mo]5(O7)(O%15)(O%16)=O)(O[Mo](O8)(O%11)(O4)([O]3%17%19)=O)=O)(O[Mo]([O]29%12)(O%10)(O%14)(O1)=O)=O)(O6)=O)=O)(=O)O%13)=O)=O)=O)=O.O |
Title of publication | Coordination and supramolecular assemblies of K+/Ln3+ to perhydroxycucurbit[5]uril in the presence of [PMo12O40]3−: potential application in isolation of light lanthanides |
Authors of publication | Han, Bao-Xia; Wang, Chuan-Zeng; Chen, Kai; Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang |
Journal of publication | CrystEngComm |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 9 |
Pages of publication | 1615 |
a | 22.648 ± 0.004 Å |
b | 15.759 ± 0.003 Å |
c | 23.177 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 8272 ± 3 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 9 |
Space group number | 62 |
Hermann-Mauguin space group symbol | P n m a |
Hall space group symbol | -P 2ac 2n |
Residual factor for all reflections | 0.1094 |
Residual factor for significantly intense reflections | 0.0831 |
Weighted residual factors for significantly intense reflections | 0.2169 |
Weighted residual factors for all reflections included in the refinement | 0.2369 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
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/7214037.html
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