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Information card for entry 4337860
Preview
| Coordinates | 4337860.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C78 H100 Dy4 N8 O26 |
|---|---|
| Calculated formula | C78 H100 Dy4 N8 O26 |
| SMILES | [Dy]1234567[O]8([Dy]9%10%11%12%13([O]2([Dy]2%14%15%16%17([O]%10([Dy]%10%18%198([O]3%14Cc3[n]%18c(ccc3)C=[N]%19c3ccccc3O%10)([O]=C(O%15)C(C)(C)C)OC(=[O]5)C(C)(C)C)Cc3[n]%16c(ccc3)C=[N]%17c3ccccc3O2)[O]=C(O%11)C(C)(C)C)Cc2[n]%12c(ccc2)C=[N]%13c2ccccc2O9)[O]=C(O4)C(C)(C)C)Cc2[n]6c(ccc2)C=[N]7c2ccccc2O1.OC.OC.O.OC.OC.OC.O.O.OC.O |
| Title of publication | Hydroxide-Free Cubane-Shaped Tetranuclear [Ln4] Complexes. |
| Authors of publication | Das, Sourav; Dey, Atanu; Biswas, Sourav; Colacio, Enrique; Chandrasekhar, Vadapalli |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 7 |
| Pages of publication | 3417 |
| a | 18.644 ± 0.005 Å |
| b | 16.89 ± 0.005 Å |
| c | 28.125 ± 0.005 Å |
| α | 90 ± 0.005° |
| β | 103.149 ± 0.005° |
| γ | 90 ± 0.005° |
| Cell volume | 8624 ± 4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0942 |
| Residual factor for significantly intense reflections | 0.0571 |
| Weighted residual factors for significantly intense reflections | 0.1423 |
| Weighted residual factors for all reflections included in the refinement | 0.1632 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179481 (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 4/33/78. |
4337860.cif |
| 109907 | 2014-04-17 | cif/ Updating files of 4337858, 4337859, 4337860 Original log message: Adding full bibliography for 4337858--4337860.cif. |
4337860.cif |
| 108454 | 2014-04-02 | cif/ Adding structures of 4337858, 4337859, 4337860 via cif-deposit CGI script. |
4337860.cif |
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Users of the data should acknowledge the original authors of the
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