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CIF Information Card
Information card for 7101759
7101758 << 7101759 >> 7101760Preview
|
Coordinates |
7101759.cif |
Structure parameters
| Formula | - C36 H44 F2 N2 Th - |
| Calculated formula | - C36 H44 F2 N2 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 | 12.9201 ± 0.0006 Å |
| b | 14.0054 ± 0.0007 Å |
| c | 18.2113 ± 0.0009 Å |
| α | 90° |
| β | 98.677 ± 0.001° |
| γ | 90° |
| Cell volume | 3257.6 ± 0.3 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 | 0.0197 |
| Residual factor for observed reflections | 0.018 |
| Weighted residual factors for the observed reflections | 0.0484 |
| Weighted residual factors for all reflections included in the refinement | 0.0488 |
| Goodness-of-fit parameter for observed reflections | 1.323 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |