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Information card for entry 7705777
Preview
| Coordinates | 7705777.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H18 As Br2 N3 Ni |
|---|---|
| Calculated formula | C18 H18 As Br2 N3 Ni |
| SMILES | [As]1(c2nc(ccc2)C)c2[n]([Ni](Br)(Br)[n]3c1cccc3C)c(ccc2)C |
| Title of publication | Coordination chemistry of the bench-stable tris-2-pyridyl pnictogen ligands [E(6-Me-2-py)<sub>3</sub>] (E = As, As[double bond, length as m-dash]O, Sb). |
| Authors of publication | Plajer, Alex J.; Crusius, Daniel; Jethwa, Rajesh B.; García-Romero, Álvaro; Bond, Andrew D.; García-Rodríguez, Raúl; Wright, Dominic S. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2021 |
| Journal volume | 50 |
| Journal issue | 7 |
| Pages of publication | 2393 - 2402 |
| a | 8.2096 ± 0.0003 Å |
| b | 8.5804 ± 0.0003 Å |
| c | 15.8305 ± 0.0005 Å |
| α | 100.351 ± 0.002° |
| β | 93.784 ± 0.002° |
| γ | 114.969 ± 0.0015° |
| Cell volume | 981.79 ± 0.06 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.052 |
| Residual factor for significantly intense reflections | 0.0332 |
| Weighted residual factors for significantly intense reflections | 0.0616 |
| Weighted residual factors for all reflections included in the refinement | 0.0681 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 262662 (current) | 2021-03-05 | cif/ Updating files of 7705770, 7705771, 7705772, 7705773, 7705774, 7705775, 7705776, 7705777, 7705778, 7705779, 7705780, 7705781, 7705782 Original log message: Adding full bibliography for 7705770--7705782.cif. |
7705777.cif |
| 259396 | 2020-12-01 | cif/ Adding structures of 7705770, 7705771, 7705772, 7705773, 7705774, 7705775, 7705776, 7705777, 7705778, 7705779, 7705780, 7705781, 7705782 via cif-deposit CGI script. |
7705777.cif |
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Users of the data should acknowledge the original authors of the
structural data.