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Information card for entry 2203289
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| Coordinates | 2203289.cif |
|---|---|
| Structure factors | 2203289.hkl |
| Original IUCr paper | HTML |
| Chemical name | [1,8-Bis(2-phenylethyl)-1,3,6,8,10,13-hexaazacyclotetradecane]nickel(II) ditetrafluoroborate |
|---|---|
| Formula | C24 H38 B2 F8 N6 Ni |
| Calculated formula | C24 H38 B2 F8 N6 Ni |
| Title of publication | [1,8-Bis(2-phenylethyl)-1,3,6,8,10,13-hexaazacyclotetradecane]nickel(II) bis(tetrafluoroborate) |
| Authors of publication | Li, Yan-Wu; Xiang, Hua; Lu, Tong-Bu; Ng, Seik Weng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2004 |
| Journal volume | 60 |
| Journal issue | 3 |
| Pages of publication | m314 - m316 |
| a | 11.427 ± 0.002 Å |
| b | 8.329 ± 0.001 Å |
| c | 15.622 ± 0.002 Å |
| α | 90° |
| β | 105.48 ± 0.003° |
| γ | 90° |
| Cell volume | 1432.9 ± 0.4 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0652 |
| Residual factor for significantly intense reflections | 0.0368 |
| Weighted residual factors for significantly intense reflections | 0.0821 |
| Weighted residual factors for all reflections included in the refinement | 0.0909 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.941 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
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