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CIF Information Card
Information card for 1100727
1100726 << 1100727 >> 1100728Preview
|
Coordinates |
1100727.cif |
Structure parameters
| Formula | - C33 H24 Br2 Cl2 Hg N4 O2 - |
| Calculated formula | - C33 H24 Br2 Cl2 Hg N4 O2 - |
| Title of publication | Self-Assembly of Chiral Coordination Polymers and Macrocycles: A Metal Template Effect on the Polymer-Macrocycle Equilibrium |
| Authors of publication | Tara J. Burchell; Richard J. Puddephatt |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Pages of publication | 3718 - 3730 |
| a | 17.239 ± 0.003 Å |
| b | 11.94 ± 0.002 Å |
| c | 16.268 ± 0.003 Å |
| α | 90° |
| β | 103.34 ± 0.03° |
| γ | 90° |
| Cell volume | 3258.2 ± 1.1 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 7 |
| Hermann-Mauguin symmetry space group | P 1 21/c 1 |
| Hall symmetry space group | -P 2ybc |
| Residual factor for all reflections | 0.0631 |
| Residual factor for observed reflections | 0.0426 |
| Weighted residual factors for the observed reflections | 0.1016 |
| Weighted residual factors for all reflections included in the refinement | 0.1092 |
| Goodness-of-fit parameter for observed reflections | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |