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Information card for entry 4121401
Preview
| Coordinates | 4121401.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C211 H152 Dy F9 N40 O45 S3 Zn16 |
|---|---|
| Calculated formula | C211 H152 Dy F9 N40 O45 S3 Zn16 |
| Title of publication | Highly emitting near-infrared lanthanide "encapsulated sandwich" metallacrown complexes with excitation shifted toward lower energy. |
| Authors of publication | Trivedi, Evan R.; Eliseeva, Svetlana V.; Jankolovits, Joseph; Olmstead, Marilyn M.; Petoud, Stéphane; Pecoraro, Vincent L. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2014 |
| Journal volume | 136 |
| Journal issue | 4 |
| Pages of publication | 1526 - 1534 |
| a | 30.4975 ± 0.0019 Å |
| b | 30.4975 ± 0.0019 Å |
| c | 13.3192 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 12388.2 ± 1.4 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 75 |
| Hermann-Mauguin space group symbol | P 4 |
| Hall space group symbol | P 4 |
| Residual factor for all reflections | 0.0514 |
| Residual factor for significantly intense reflections | 0.0415 |
| Weighted residual factors for significantly intense reflections | 0.1333 |
| Weighted residual factors for all reflections included in the refinement | 0.1402 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211332 (current) | 2018-10-05 | cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter. |
4121401.cif |
| 179016 | 2016-03-22 | cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/14. |
4121401.cif |
| 107755 | 2014-03-22 | cif/ Adding structures of 4121401 via cif-deposit CGI script. |
4121401.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.