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Information card for entry 4308243
Preview
| Coordinates | 4308243.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C60 H36 F9 Fe2 N2 Nd O6 S3 |
|---|---|
| Calculated formula | C60 H36 F9 Fe2 N2 Nd O6 S3 |
| SMILES | c12c3cc(c[n]2[Nd]245([n]6cc(cc(c16)cc3)C#C[c]13[cH]6[cH]7[cH]8[cH]1[Fe]19%10%113678[cH]3[cH]%11[cH]%10[cH]9[cH]13)(OC(=CC(C(F)(F)F)=[O]2)c1cccs1)(OC(=CC(C(F)(F)F)=[O]4)c1cccs1)OC(=CC(C(F)(F)F)=[O]5)c1cccs1)C#C[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]8[cH]7[cH]6[cH]12 |
| Title of publication | Rare-Earth Complexes of Ferrocene-Containing Ligands: Visible-Light Excitable Luminescent Materials |
| Authors of publication | Yao-Feng Yuan; Thomas Cardinaels; Kyra Lunstroot; Kristof Van Hecke; Luc Van Meervelt; Christiane Görller-Walrand; Koen Binnemans; Peter Nockemann |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2007 |
| Journal volume | 46 |
| Pages of publication | 5302 - 5309 |
| a | 14.5049 ± 0.0002 Å |
| b | 15.6998 ± 0.0002 Å |
| c | 15.9769 ± 0.0003 Å |
| α | 119.147 ± 0.001° |
| β | 114.041 ± 0.001° |
| γ | 90.289 ± 0.001° |
| Cell volume | 2805.96 ± 0.09 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.065 |
| Residual factor for significantly intense reflections | 0.0547 |
| Weighted residual factors for significantly intense reflections | 0.1086 |
| Weighted residual factors for all reflections included in the refinement | 0.1147 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179120 (current) | 2016-03-22 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/82. |
4308243.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4308243.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4308243.cif |
| 1194 | 2010-06-06 | cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory. |
4308243.cif |
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