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Information card for entry 8101526
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| Coordinates | 8101526.cif |
|---|
| Formula | C8 H4 Cl5 F3 N Nb |
|---|---|
| Calculated formula | C8 H4 Cl5 F3 N Nb |
| SMILES | [Nb](Cl)(Cl)(Cl)(Cl)(Cl)[N]#Cc1cccc(c1)C(F)(F)F |
| Title of publication | Crystal structure of {3-(trifluormethyl)benzonitrile}pentachloro-niobium(V), NbCl~5~(m-CF~3~)C~6~H~4~CN |
| Authors of publication | Stumpf, Klaus; Blachnik, Roger; Roth, Georg |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 1999 |
| Journal volume | 214 |
| Journal issue | 3 |
| Pages of publication | 397 - 398 |
| a | 5.848 ± 0.001 Å |
| b | 12.707 ± 0.001 Å |
| c | 18.919 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1405.9 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for significantly intense reflections | 0.0177 |
| Weighted residual factors for significantly intense reflections | 0.0324 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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Users of the data should acknowledge the original authors of the
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