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CIF Information Card
Information card for 4114417
4114416 << 4114417 >> 4114418Preview
|
Coordinates |
4114417.cif |
Structure parameters
| Chemical name | ? #Insert the chemical name here. |
| Formula | - C38 H85 Cl2 Fe Mg0.5 N6 O28.5 - |
| Calculated formula | - C39 H88 Cl2 Fe Mg0.5 N6 O29 - |
| 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 | 19.8327 ± 0.0011 Å |
| b | 20.4111 ± 0.0011 Å |
| c | 15.1698 ± 0.0008 Å |
| α | 90° |
| β | 96.435 ± 0.001° |
| γ | 90° |
| Cell volume | 6102.2 ± 0.6 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 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 | 0.125 |
| Residual factor for observed reflections | 0.071 |
| Weighted residual factors for all reflections | 0.091 |
| Weighted residual factors for the observed reflections | 0.086 |
| Goodness-of-fit parameter for observed reflections | 2.48 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MolybdenumKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |