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Information card for entry 7032557
Preview
| Coordinates | 7032557.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C96 H138 Dy4 Mn3 N14 O34 |
|---|---|
| Calculated formula | C88 H126 Dy4 Mn3 N10 O34 |
| SMILES | C1(C(C)(C)C)=[O][Dy]234567[N](=Cc8cccc9[O](C)[Dy]%10%11%12([N](O)=Cc%13cccc(OC)c%13O%10)([O]3c89)(OC(=O)C(C)(C)C)[O]3CC[N]8(CC[O]4%11[Mn]4938[N](=Cc3c(c(ccc3)OC)O4)[O]5[Mn]34([O]7CC[N]2(CC[O]6%129)C)([O]2[N]5=Cc6cccc(c6O[Mn]6785[N]5(CC[O]6[Dy]69%10%11(Oc%12c(OC)cccc%12C=[N]6O)([O]6c%12c(C=[N](O)[Dy]%13%1426([N](CC[O]8%11%13)(CC[O]3%14)C)([O]=C(C(C)(C)C)O4)[O]7%10CC5)cccc%12[O]9C)OC(=O)C(C)(C)C)C)OC)O1)C)O |
| 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 | 12.5905 ± 0.0004 Å |
| b | 16.257 ± 0.0006 Å |
| c | 16.7408 ± 0.0006 Å |
| α | 99.262 ± 0.003° |
| β | 109.725 ± 0.003° |
| γ | 112.78 ± 0.003° |
| Cell volume | 2801 ± 0.2 Å3 |
| Cell temperature | 100 ± 0 K |
| Ambient diffraction temperature | 100 ± 0 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 | 0.0719 |
| Residual factor for significantly intense reflections | 0.058 |
| Weighted residual factors for significantly intense reflections | 0.1508 |
| Weighted residual factors for all reflections included in the refinement | 0.1562 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.995 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180031 (current) | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/25. |
7032557.cif |
| 126434 | 2014-11-06 | cif/ Updating files of 7032557, 7032558, 7032559 Original log message: Adding full bibliography for 7032557--7032559.cif. |
7032557.cif |
| 123830 | 2014-09-16 | cif/ Adding structures of 7032557, 7032558, 7032559 via cif-deposit CGI script. |
7032557.cif |
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Users of the data should acknowledge the original authors of the
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