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CIF Information Card
Information card for 7101758
7101757 << 7101758 >> 7101759Preview
|
Coordinates |
7101758.cif |
Structure parameters
| Formula | - C55 H64 F4 N4 Th - |
| Calculated formula | - C50 H52 F4 N4 Th - |
| Title of publication | Actinide-mediated coupling of 4-fluorobenzonitrile: synthesis of an eight-membered thorium(IV) tetraazametallacycle. |
| Authors of publication | Schelter, Eric J; Morris, David E; Scott, Brian L; Kiplinger, Jaqueline L |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2007 |
| Journal issue | 10 |
| Pages of publication | 1029 - 1031 |
| a | 24.6845 ± 0.0013 Å |
| b | 18.9028 ± 0.001 Å |
| c | 20.7781 ± 0.0011 Å |
| α | 90° |
| β | 95.014 ± 0.001° |
| γ | 90° |
| Cell volume | 9658.1 ± 0.9 Å3 |
| Cell temperature | 141 ± 2 K |
| Ambient diffraction temperature | 141 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | C 1 2/c 1 |
| Hall symmetry space group | -C 2yc |
| Residual factor for all reflections | 0.0505 |
| Residual factor for observed reflections | 0.0363 |
| Weighted residual factors for the observed reflections | 0.0929 |
| Weighted residual factors for all reflections included in the refinement | 0.0985 |
| Goodness-of-fit parameter for observed reflections | 1.011 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |