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Information card for entry 4124201
Preview
| Coordinates | 4124201.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C88 H128 Cl N8 Np O |
|---|---|
| Calculated formula | C84 H120 Cl N8 Np |
| SMILES | c1cc(cc2c3cc(cc[n]3[Np]3([n]12)([n]1ccc(C(C)(C)C)cc1c2cc(cc[n]23)C(C)(C)C)(=Nc1c(cccc1C(C)C)C(C)C)(Cl)=Nc1c(cccc1C(C)C)C(C)C)C(C)(C)C)C(C)(C)C.Nc1c(cccc1C(C)C)C(C)C.Nc1c(cccc1C(C)C)C(C)C |
| Title of publication | A Linear trans-Bis(imido) Neptunium(V) Actinyl Analog: Np(V)(NDipp)2((t)Bu2bipy)2Cl (Dipp = 2,6-(i)Pr2C6H3). |
| Authors of publication | Brown, Jessie L.; Batista, Enrique R.; Boncella, James M.; Gaunt, Andrew J.; Reilly, Sean D.; Scott, Brian L.; Tomson, Neil C. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2015 |
| Journal volume | 137 |
| Journal issue | 30 |
| Pages of publication | 9583 - 9586 |
| a | 16.8964 ± 0.0009 Å |
| b | 21.2575 ± 0.0012 Å |
| c | 24.1461 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 8672.7 ± 0.8 Å3 |
| Cell temperature | 140 ± 1 K |
| Ambient diffraction temperature | 140 ± 1 K |
| Number of distinct elements | 6 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.058 |
| Residual factor for significantly intense reflections | 0.0441 |
| Weighted residual factors for significantly intense reflections | 0.0946 |
| Weighted residual factors for all reflections included in the refinement | 0.0993 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.138 |
| 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 | cif/ (antanas@kurmis) Replacing _cod_cif_authors_sg_Hall tag with _cod_original_sg_symbol_Hall tag and _cod_cif_authors_sg_H-M tag with _cod_original_sg_symbol_H-M tag in multiple entries sine the replaced tags are deprecated according to the COD CIF dictionary. |
4124201.cif |
| 154628 | 2015-09-06 | cif/ Updating files of 4124201 Original log message: Adding full bibliography for 4124201.cif. |
4124201.cif |
| 152597 | 2015-07-29 | cif/ Adding structures of 4124201 via cif-deposit CGI script. |
4124201.cif |
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