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CIF Information Card
Information card for 4114415
4114414 << 4114415 >> 4114416Preview
|
Coordinates |
4114415.cif |
Structure parameters
| Chemical name | ? #Insert the chemical name here. |
| Formula | - C41 H82 Cl2 Fe Mg0.5 N6 O29.5 - |
| Calculated formula | - C41 H82 Cl2 Fe Mg0.5 N6 O31 - |
| Title of publication | Crystal and Molecular Structures of Ionophore-Siderophore Host-Guest Supramolecular Assemblies Relevant to Molecular Recognition |
| Authors of publication | Suraj Dhungana; Peter S. White; Alvin L. Crumbliss |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2003 |
| Journal volume | 125 |
| Pages of publication | 14760 - 14767 |
| a | 11.1747 ± 0.001 Å |
| b | 16.058 ± 0.0015 Å |
| c | 18.4175 ± 0.0017 Å |
| α | 80.469 ± 0.003° |
| β | 81.481 ± 0.003° |
| γ | 70.212 ± 0.002° |
| Cell volume | 3051.7 ± 0.5 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 7 |
| Hermann-Mauguin symmetry space group | P -1 |
| Hall symmetry space group | -P 1 |
| Residual factor for all reflections | 0.127 |
| Residual factor for observed reflections | 0.07 |
| Weighted residual factors for all reflections | 0.105 |
| Weighted residual factors for the observed reflections | 0.082 |
| Goodness-of-fit parameter for observed reflections | 1.67 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MolybdenumKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |