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Information card for entry 4338212
Preview
| Coordinates | 4338212.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C66 H98 Cl4 Dy6 N12 O40 |
|---|---|
| Calculated formula | C66 H98 Cl4 Dy6 N12 O40 |
| SMILES | C1c2[n]3c(C4=N[N]5=Cc6cccc7[O](C)[Dy]89%10%11%12([O](c67)[Dy]67%13%145([O]4[Dy]45%153([O]1[Dy]13%16%17%18([N](N=C%19[O]1[Dy]1%20%21%22([n]%23c(C[OH]1)cccc%19%23)([OH]4%17)([N](=Cc1cccc([O]%16C)c1[O]%18%20)N=C1c4cccc%17C[O]9[Dy]([OH]65)([n]4%17)([O]%221)([OH]%12%13)([OH2])([OH2])[OH]%15%21)[OH]C)=Cc1c(O3)c(OC)ccc1)[OH2])([OH2])[OH2])([OH]C)[n]1c(C[OH]7)cccc1C(=N[N]8=Cc1cccc(OC)c1O%11)[O]%10%14)[OH2])ccc2.CO.[Cl-].[Cl-].OC.O.O.O.O.CO.CO.[Cl-].[Cl-].O.O.O.O |
| Title of publication | Molecular Magnets Based on Homometallic Hexanuclear Lanthanide(III) Complexes. |
| Authors of publication | Das, Sourav; Hossain, Sakiat; Dey, Atanu; Biswas, Sourav; Sutter, Jean-Pascal; Chandrasekhar, Vadapalli |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 10 |
| Pages of publication | 5020 - 5028 |
| a | 12.042 ± 0.005 Å |
| b | 12.905 ± 0.005 Å |
| c | 16.891 ± 0.005 Å |
| α | 68.012 ± 0.005° |
| β | 88.667 ± 0.005° |
| γ | 76.685 ± 0.005° |
| Cell volume | 2362.8 ± 1.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.1127 |
| Residual factor for significantly intense reflections | 0.0725 |
| Weighted residual factors for significantly intense reflections | 0.1691 |
| Weighted residual factors for all reflections included in the refinement | 0.2114 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179485 (current) | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/82. |
4338212.cif |
| 115674 | 2014-06-05 | cif/ Updating files of 4338211, 4338212, 4338213, 4338214 Original log message: Adding full bibliography for 4338211--4338214.cif. |
4338212.cif |
| 111701 | 2014-04-26 | cif/ Adding structures of 4338211, 4338212, 4338213, 4338214 via cif-deposit CGI script. |
4338212.cif |
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Users of the data should acknowledge the original authors of the
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