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CIF Information Card
Information card for 4114577
4114576 << 4114577 >> 4114578Preview
|
Coordinates |
4114577.cif |
Structure parameters
| Formula | - C48 H84 N4 P4 Si8 Zr2 - |
| Calculated formula | - C48 H84 N4 P4 Si8 Zr2 - |
| Title of publication | Phosphorus Phenyl-Group Activation by Reduced Zirconium and Niobium Complexes Stabilized by the [P2N2] Macrocycle |
| Authors of publication | Michael D. Fryzuk; Christopher M. Kozak; Parisa Mehrkhodavandi; Lara Morello; Brian O. Patrick; Steven J. Rettig |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2002 |
| Journal volume | 124 |
| Pages of publication | 516 - 517 |
| a | 9.3696 ± 0.001 Å |
| b | 16.114 ± 0.002 Å |
| c | 19.9855 ± 0.0009 Å |
| α | 90° |
| β | 92.9201 ± 0.0009° |
| γ | 90° |
| Cell volume | 3013.5 ± 0.5 Å3 |
| Cell temperature | 180.2 K |
| Ambient diffraction temperature | 180.2 K |
| Number of distinct elements | 6 |
| Hermann-Mauguin symmetry space group | P 1 21/n 1 |
| Hall symmetry space group | -P 2yn |
| Residual factor for all reflections | 0.0801 |
| Residual factor for observed reflections | 0.05 |
| Weighted residual factors for all reflections | 0.085 |
| Weighted residual factors for all reflections included in the refinement | 0.043 |
| Goodness-of-fit parameter for all reflections | 2.685 |
| Goodness-of-fit parameter for observed reflections | 2.69 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |