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CIF Information Card
Information card for 7101766
7101765 << 7101766 >> 7101767Preview
|
Coordinates |
7101766.cif |
Structure parameters
| Formula | - C114 H154 Cu10 Gd2 N26 O53 - |
| Calculated formula | - C114 H116 Cu10 Gd2 N26 O53 - |
| Title of publication | Metallacrown-based compartments: selective encapsulation of three isonicotinate anions in non-centrosymmetric solids. |
| Authors of publication | Mezei, Gellert; Kampf, Jeff W; Pan, Shilie; Poeppelmeier, Kenneth R; Watkins, Byron; Pecoraro, Vincent L |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2007 |
| Journal issue | 11 |
| Pages of publication | 1148 - 1150 |
| a | 15.4229 ± 0.0008 Å |
| b | 15.6844 ± 0.0008 Å |
| c | 16.8056 ± 0.0009 Å |
| α | 88.247 ± 0.003° |
| β | 65.51 ± 0.003° |
| γ | 73.213 ± 0.003° |
| Cell volume | 3523.3 ± 0.3 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 6 |
| Hermann-Mauguin symmetry space group | P 1 |
| Hall symmetry space group | P 1 |
| Residual factor for all reflections | 0.0251 |
| Residual factor for observed reflections | 0.0224 |
| Weighted residual factors for the observed reflections | 0.0589 |
| Weighted residual factors for all reflections included in the refinement | 0.0602 |
| Goodness-of-fit parameter for observed reflections | 1.081 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |