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Information card for entry 7040473
Preview
Coordinates | 7040473.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C96 H204 Mo16 N13 O52 Tm |
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Calculated formula | C80 H180 Mo16 N5 O52 Tm |
SMILES | [Tm]123456(O[Mo]789(=O)[O]%10[Mo]%11%12%13(O1)O[Mo]1(O[Mo]%14%10(=O)([O]9[Mo]9%10%15([O]%168%12[Mo]8(O2)([O]%11[Mo](O1)(=O)([O]98)([O]%13%14%15)=O)(=O)O[Mo]%16(O3)(=O)(O7)O%10)=O)=O)(=O)=O)O[Mo]123(=O)O[Mo]78(O4)(=O)O[Mo]49(O5)(=O)[O]5[Mo]%10%11%12(O6)O[Mo]6(O[Mo]%135([O]9[Mo]5([O]274%11)([O]3[Mo]([O]1%10)(=O)(O6)([O]%12%135)=O)(O8)=O)(=O)=O)(=O)=O.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC |
Title of publication | Single ion magnets based on lanthanoid polyoxomolybdate complexes. |
Authors of publication | Baldoví, José J; Duan, Yan; Bustos, Carlos; Cardona-Serra, Salvador; Gouzerh, Pierre; Villanneau, Richard; Gontard, Geoffrey; Clemente-Juan, Juan M; Gaita-Ariño, Alejandro; Giménez-Saiz, Carlos; Proust, Anna; Coronado, Eugenio |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 42 |
Pages of publication | 16653 - 16660 |
a | 17.8375 ± 0.0002 Å |
b | 32.8499 ± 0.0004 Å |
c | 47.7986 ± 0.0008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 28008.1 ± 0.7 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 6 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P c a b |
Hall space group symbol | -P 2bc 2ac |
Residual factor for all reflections | 0.1431 |
Residual factor for significantly intense reflections | 0.1116 |
Weighted residual factors for significantly intense reflections | 0.2275 |
Weighted residual factors for all reflections included in the refinement | 0.2396 |
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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