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CIF Information Card
Information card for 4114416
4114415 << 4114416 >> 4114417Preview
|
Coordinates |
4114416.cif |
Structure parameters
| Chemical name | ? #Insert the chemical name here. |
| Formula | - C46.67 H84.5 Cl2 Fe Mg0.5 N6 O26.5 - |
| Calculated formula | - C47 H87 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 | 20.1473 ± 0.0013 Å |
| b | 21.5778 ± 0.0015 Å |
| c | 14.8013 ± 0.001 Å |
| α | 90° |
| β | 94.586 ± 0.002° |
| γ | 90° |
| Cell volume | 6414 ± 0.7 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 | 0.188 |
| Residual factor for observed reflections | 0.085 |
| Weighted residual factors for all reflections | 0.114 |
| Weighted residual factors for the observed reflections | 0.096 |
| Goodness-of-fit parameter for observed reflections | 2.41 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MolybdenumKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |