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CIF Information Card
Information card for 7101722
7101721 << 7101722 >> 7101723Preview
|
Coordinates |
7101722.cif |
Structure parameters
| Formula | - C92 H111 Cl2 Cu N5 O14 - |
| Calculated formula | - C92 H111 Cu N5 O6 - |
| Title of publication | Drastic effects of the second coordination sphere on neutral vs. anionic guest binding to a biomimetic Cu(II) center embedded in a calix[6]aza-cryptand. |
| Authors of publication | Izzet, Guillaume; Zeng, Xianshun; Akdas, Huriye; Marrot, Jérôme; Reinaud, Olivia |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2007 |
| Journal issue | 8 |
| Pages of publication | 810 - 812 |
| a | 42.363 ± 0.003 Å |
| b | 19.886 ± 0.0013 Å |
| c | 22.7939 ± 0.0015 Å |
| α | 90° |
| β | 102.349 ± 0.003° |
| γ | 90° |
| Cell volume | 18758 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Hermann-Mauguin symmetry space group | C 1 2/c 1 |
| Hall symmetry space group | -C 2yc |
| Residual factor for all reflections | 0.1643 |
| Residual factor for observed reflections | 0.1578 |
| Weighted residual factors for the observed reflections | 0.3934 |
| Weighted residual factors for all reflections included in the refinement | 0.3976 |
| Goodness-of-fit parameter for observed reflections | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |