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CIF Information Card
Information card for 7205802
7205801 << 7205802 >> 7205803Preview
|
Coordinates |
7205802.cif |
Structure parameters
| Formula | - C19 H28 Cl6 N2 O7 - |
| Calculated formula | - C19 H28 Cl6 N2 O7 - |
| Title of publication | A new hydrogen bonding motif involved in self-recognition in the solid state by functionalised macrocycles |
| Authors of publication | Brelot, Lydia; Cao, Xiao-yu; Harrowfield, Jack; Lehn, Jean-Marie; Rissanen, Kari; Russo, Luca |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 7 |
| Pages of publication | 2346 |
| a | 10.1087 ± 0.0006 Å |
| b | 10.8879 ± 0.0004 Å |
| c | 14.367 ± 0.001 Å |
| α | 98.432 ± 0.003° |
| β | 94.188 ± 0.003° |
| γ | 116.888 ± 0.003° |
| Cell volume | 1377.57 ± 0.14 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P -1 |
| Hall symmetry space group | -P 1 |
| Residual factor for all reflections | 0.1152 |
| Residual factor for observed reflections | 0.0605 |
| Weighted residual factors for the observed reflections | 0.1637 |
| Weighted residual factors for all reflections included in the refinement | 0.2061 |
| Goodness-of-fit parameter for observed reflections | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |