Crystallography Open Database
| COD Home |
|---|
| Accessing COD Data |
|---|
| Add Your Data |
|---|
| Documentation |
|---|
CIF Information Card
Information card for 7101730
7101729 << 7101730 >> 7101731Preview
|
Coordinates |
7101730.cif |
Structure parameters
| Formula | - C44 H80 In2 N2 Ni2 O18 - |
| Calculated formula | - C44 H80 In2 N2 Ni2 O18 - |
| Title of publication | Al, Ga and In heterometallic wheels and their by-products. |
| Authors of publication | Sañudo, E Carolina; Muryn, Christopher A; Helliwell, Madeleine A; Timco, Grigore A; Wernsdorfer, Wolfgang; Winpenny, Richard E P |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2007 |
| Journal issue | 8 |
| Pages of publication | 801 - 803 |
| a | 13.6807 ± 0.0005 Å |
| b | 14.616 ± 0.0007 Å |
| c | 16.7701 ± 0.0006 Å |
| α | 95.458 ± 0.004° |
| β | 102.446 ± 0.003° |
| γ | 116.862 ± 0.003° |
| Cell volume | 2849 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0342 |
| Residual factor for observed reflections | 0.0246 |
| Weighted residual factors for the observed reflections | 0.0637 |
| Weighted residual factors for all reflections included in the refinement | 0.0668 |
| Goodness-of-fit parameter for observed reflections | 1.105 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |