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Information card for entry 1529390
Preview
| Coordinates | 1529390.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C88 H80 Ce N16 Na4 |
|---|---|
| Calculated formula | C88 H80 Ce N16 Na4 |
| SMILES | [Ce]1234567[N]8([Na]9([N]6([Na]6([N]4(N56([Na]([N]3([N]2([Na]([N]18c1ccccc1)([n]1ccccc1)[n]1ccccc1)c1ccccc1)c1ccccc1)([n]1ccccc1)[n]1ccccc1)c1ccccc1)c1ccccc1)([n]1ccccc1)[n]1ccccc1)([N]79c1ccccc1)c1ccccc1)([n]1ccccc1)[n]1ccccc1)c1ccccc1 |
| Title of publication | Control of cerium oxidation state through metal complex secondary structures |
| Authors of publication | Levin, Jessica R.; Dorfner, Walter L.; Carroll, Patrick J.; Schelter, Eric J. |
| Journal of publication | Chem. Sci. |
| Year of publication | 2015 |
| Journal volume | 6 |
| Journal issue | 12 |
| Pages of publication | 6925 |
| a | 13.9504 ± 0.0007 Å |
| b | 16.2467 ± 0.0009 Å |
| c | 19.0053 ± 0.0011 Å |
| α | 83.136 ± 0.003° |
| β | 83.696 ± 0.003° |
| γ | 84.993 ± 0.003° |
| Cell volume | 4238.8 ± 0.4 Å3 |
| Cell temperature | 143 ± 1 K |
| Ambient diffraction temperature | 143 ± 1 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 | 0.0649 |
| Residual factor for significantly intense reflections | 0.0487 |
| Weighted residual factors for significantly intense reflections | 0.1125 |
| Weighted residual factors for all reflections included in the refinement | 0.1184 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
1529390.cif |
| 170973 | 2015-12-09 | cif/ Updating files of 1529389, 1529390, 1529391 Original log message: Adding full bibliography for 1529389--1529391.cif. |
1529390.cif |
| 153345 | 2015-08-12 | cif/ Adding structures of 1529389, 1529390, 1529391 via cif-deposit CGI script. |
1529390.cif |
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