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CIF Information Card
Information card for 4300001
4300000 << 4300001 >> 4300002Preview
|
Coordinates |
4300001.cif |
Structure parameters
| Formula | - C21 H30 Cl N5 O - |
| Calculated formula | - C21 H32 Cl N5 O - |
| Title of publication | Synthesis and Properties of Iron(II) and Manganese(II) Complexes Derived from a Topologically Constrained Pentadentate Ligand |
| Authors of publication | Simon Collinson; Nathaniel W. Alcock; Ahasuya Raghunathan; Pawan K. Kahol; Daryle H. Busch |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2000 |
| Journal volume | 39 |
| Pages of publication | 757 - 764 |
| a | 9.4405 ± 0.0001 Å |
| b | 13.3617 ± 0.0001 Å |
| c | 16.71 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2107.82 ± 0.04 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P 21 21 21 |
| Hall symmetry space group | P 2ac 2ab |
| Residual factor for all reflections | 0.0479 |
| Residual factor for observed reflections | 0.0374 |
| Weighted residual factors for all reflections | 0.0832 |
| Weighted residual factors for the observed reflections | 0.0778 |
| Goodness-of-fit parameter for all reflections | 1.085 |
| Goodness-of-fit parameter for observed reflections | 1.084 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |