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CIF Information Card
Information card for 1100747
1100746 << 1100747 >> 1100748Preview
|
Coordinates |
1100747.cif |
Structure parameters
| Formula | - C22 H12 Br Cl N4 O4 Re - |
| Calculated formula | - C22 H12 Br1 Cl N4 O4 Re - |
| Title of publication | Complexes of Functionalized Dipyrido[3,2-a:2',3'-c]-phenazine: A Synthetic, Spectroscopic, Structural, and Density Functional Theory Study |
| Authors of publication | Natasha J. Lundin; Penny J. Walsh; Sarah L. Howell; John J. McGarvey; Allan G. Blackman; Keith C. Gordon |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Pages of publication | 3551 - 3560 |
| a | 19.506 ± 0.005 Å |
| b | 18.043 ± 0.005 Å |
| c | 13.32 ± 0.005 Å |
| α | 90° |
| β | 114.936 ± 0.005° |
| γ | 90° |
| Cell volume | 4251 ± 2 Å3 |
| Cell temperature | 164 ± 2 K |
| Ambient diffraction temperature | 164 ± 2 K |
| Number of distinct elements | 7 |
| Hermann-Mauguin symmetry space group | C 1 2/c 1 |
| Hall symmetry space group | -C 2yc |
| Residual factor for all reflections | 0.0345 |
| Residual factor for observed reflections | 0.0298 |
| Weighted residual factors for the observed reflections | 0.0791 |
| Weighted residual factors for all reflections included in the refinement | 0.0827 |
| Goodness-of-fit parameter for observed reflections | 1.067 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |