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Information card for entry 7241689
Preview
| Coordinates | 7241689.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C125 H116 Cl4 Dy2 K2 |
|---|---|
| Calculated formula | C125 H116 Cl4 Dy2 K2 |
| SMILES | [c]123[cH]4[cH]5[c]6([cH]7[cH]1[K]189%10%11%12%13%1434567[c]3([cH]%11[cH]%10[c]9([cH]8[cH]13)C)[c]13[cH]4[c]5(c6ccc(cc6)C)[cH]6[c]1(c1ccc(cc1)C)[Dy]1789%103456([c]3(c4ccc(cc4)C)[cH]1[c]7(c1ccc(cc1)C)[c]8([cH]93)[c]13[cH]4[cH]5[c]6([cH]7[cH]1[K]189%11%15%16%1734567([c]3([cH]%15[cH]%11[c]9([cH]8[cH]13)C)[c]13[cH]4[c]5(c6ccc(cc6)C)[cH]6[c]1(c1ccc(cc1)C)[Dy]17893456([c]32[cH]9[c]8([cH]7[c]13c1ccc(cc1)C)c1ccc(cc1)C)([Cl]%14%16)[Cl]%17)[Cl]%13%10)C)[Cl]%12)C.c1ccc(cc1)C.c1ccccc1C.Cc1ccccc1 |
| Title of publication | Highly fluorescent aryl-cyclopentadienyl ligands and their tetra-nuclear mixed metallic potassium‒dysprosium clusters |
| Authors of publication | Arumugam, Selvakumar; Reddy, Pulikanti Guruprasad; Francis, Maria; Kulkarni, Aditya; Roy, Sudipta; Mondal, Kartik Chandra |
| Journal of publication | RSC Advances |
| Year of publication | 2020 |
| Journal volume | 10 |
| Journal issue | 65 |
| Pages of publication | 39366 - 39372 |
| a | 17.1088 ± 0.0007 Å |
| b | 17.778 ± 0.0008 Å |
| c | 20.6046 ± 0.0009 Å |
| α | 69.756 ± 0.002° |
| β | 79.617 ± 0.002° |
| γ | 62.673 ± 0.002° |
| Cell volume | 5222 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 200 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0633 |
| Residual factor for significantly intense reflections | 0.0391 |
| Weighted residual factors for significantly intense reflections | 0.0839 |
| Weighted residual factors for all reflections included in the refinement | 0.0946 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 259592 (current) | 2020-12-06 | cif/ Adding structures of 7241687, 7241688, 7241689, 7241690 via cif-deposit CGI script. |
7241689.cif |
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Users of the data should acknowledge the original authors of the
structural data.