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Information card for entry 7032559
Preview
| Coordinates | 7032559.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C94 H135 Mn3 N13 O34 Y4 |
|---|---|
| Calculated formula | C88 H126 Mn3 N10 O34 Y4 |
| SMILES | C1=[N](O)[Y]234567[O]=C(C(C)(C)C)O[Mn]89%10([O]3[N]3[Mn]%11%12%13(Oc%14c(cccc%14C=3)OC)[O]34[Y]4%14([N](O)=Cc%15cccc(OC)c%15O%14)([O]2c2c1cccc2[O]4C)(OC(=O)C(C)(C)C)([O]5%11CC[N]7(C)CC[O]68)[O]%12CC[N]%13(CC3)C)[O]=C(C(C)(C)C)O[Y]123456[N](=Cc7cccc8[O]([Y]%11%12%13(Oc%14c(C=[N]%11O)cccc%14OC)([O]2c78)(OC(=O)C(C)(C)C)[O]24CC[N]4(CC[O]%13[Mn]724([N](=Cc2cccc(c2O7)OC)[O]93)[O]5%12CC[N]1(C)CC[O]%106)C)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 | 12.5114 ± 0.0005 Å |
| b | 16.2168 ± 0.0009 Å |
| c | 16.7501 ± 0.0009 Å |
| α | 65.226 ± 0.005° |
| β | 70.403 ± 0.004° |
| γ | 67.618 ± 0.004° |
| Cell volume | 2790 ± 0.3 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 | 0.0609 |
| Residual factor for significantly intense reflections | 0.0507 |
| Weighted residual factors for significantly intense reflections | 0.1382 |
| Weighted residual factors for all reflections included in the refinement | 0.1449 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| 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. |
7032559.cif |
| 126434 | 2014-11-06 | cif/ Updating files of 7032557, 7032558, 7032559 Original log message: Adding full bibliography for 7032557--7032559.cif. |
7032559.cif |
| 123830 | 2014-09-16 | cif/ Adding structures of 7032557, 7032558, 7032559 via cif-deposit CGI script. |
7032559.cif |
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Users of the data should acknowledge the original authors of the
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