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Information card for entry 4337858
Preview
| Coordinates | 4337858.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C78 H104 Gd4 N8 O25 |
|---|---|
| Calculated formula | C78 H104 Gd4 N8 O25 |
| SMILES | [Gd]1234567[O]8([Gd]9%10%11%12%13([O]2([Gd]2%14%15%16%17([O]%183[Gd]3%198(Oc8c([N]%19=Cc%19[n]3c(C%18)ccc%19)cccc8)([O]%102Cc2[n]%16c(ccc2)C=[N]%17c2ccccc2O%14)([O]=C(O4)C(C)(C)C)OC(=[O]%15)C(C)(C)C)[O]=C(O%11)C(C)(C)C)Cc2[n]%12c(ccc2)C=[N]%13c2ccccc2O9)[O]=C(O5)C(C)(C)C)Cc2[n]6c(ccc2)C=[N]7c2ccccc2O1.O.O.OC.OC.OC.OC.OC.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 | 18.788 ± 0.005 Å |
| b | 16.882 ± 0.005 Å |
| c | 27.893 ± 0.005 Å |
| α | 90 ± 0.005° |
| β | 102.47 ± 0.005° |
| γ | 90 ± 0.005° |
| Cell volume | 8638 ± 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 | 0.1073 |
| Residual factor for significantly intense reflections | 0.0718 |
| Weighted residual factors for significantly intense reflections | 0.1655 |
| Weighted residual factors for all reflections included in the refinement | 0.186 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| 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. |
4337858.cif |
| 109907 | 2014-04-17 | cif/ Updating files of 4337858, 4337859, 4337860 Original log message: Adding full bibliography for 4337858--4337860.cif. |
4337858.cif |
| 108454 | 2014-04-02 | cif/ Adding structures of 4337858, 4337859, 4337860 via cif-deposit CGI script. |
4337858.cif |
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