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Information card for entry 7032558
Preview
Coordinates | 7032558.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C100 H144 Mn3 N16 O34 Tb4 |
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Calculated formula | C88 H126 Mn3 N10 O34 Tb4 |
SMILES | C1(C(C)(C)C)=[O][Mn]234([O]5[Tb]6789%10([N](CC5)(C)CC[O]57[Mn]7%11%12([N]([O]2%10)=Cc2cccc(OC)c2O%11)[O]2CC[N]%12(C)CC[O]97[Tb]7952([N](O)=Cc2cccc(OC)c2O9)([O]8c2c(C=[N]6O)cccc2[O]7C)OC(=O)C(C)(C)C)[O]=C(C(C)(C)C)O3)[O]2CC[N]3(C)CC[O]56[Mn]789%10[N]%11(CC[O]8[Tb]8%12%136([N](O)=Cc6cccc(OC)c6O%13)([O]6c%13c(C=[N](O)[Tb]2356([O]9%12CC%11)([O]4[N]7=Cc2cccc(c2O%10)OC)O1)cccc%13[O]8C)OC(=O)C(C)(C)C)C |
Title of publication | A family of novel Mn3Ln4 clusters displaying single-molecule magnet behavior. |
Authors of publication | Chen, Hui; Ma, Cheng-Bing; Hu, Ming-Qiang; Wen, Hui-Min; Chen, Chang-Neng |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 44 |
Pages of publication | 16737 - 16744 |
a | 12.5662 ± 0.0005 Å |
b | 16.2692 ± 0.0008 Å |
c | 16.786 ± 0.0007 Å |
α | 65.082 ± 0.004° |
β | 70.517 ± 0.004° |
γ | 67.353 ± 0.004° |
Cell volume | 2811.5 ± 0.2 Å3 |
Cell temperature | 100 ± 0.4 K |
Ambient diffraction temperature | 100 ± 0.4 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0897 |
Residual factor for significantly intense reflections | 0.0632 |
Weighted residual factors for significantly intense reflections | 0.1659 |
Weighted residual factors for all reflections included in the refinement | 0.1773 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.951 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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