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CIF Information Card
Information card for 7101612
7101611 << 7101612 >> 7101613Preview
|
Coordinates |
7101612.cif |
Structure parameters
| Formula | - C99 H90.5 Cl2 Cu4 N5 O15.25 P4 - |
| Calculated formula | - C99 H85 Cl2 Cu4 N5 O15.25 P4 - |
| Title of publication | Metal cages using a bulky phosphonate as a ligand. |
| Authors of publication | Baskar, Viswanathan; Shanmugam, Muralidharan; Sañudo, E Carolina; Shanmugam, Maheswaran; Collison, David; McInnes, Eric J L; Wei, Qiang; Winpenny, Richard E P |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2007 |
| Journal issue | 1 |
| Pages of publication | 37 - 39 |
| a | 13.62 ± 0.004 Å |
| b | 17.079 ± 0.005 Å |
| c | 23.954 ± 0.006 Å |
| α | 71.616 ± 0.005° |
| β | 73.921 ± 0.006° |
| γ | 68.045 ± 0.005° |
| Cell volume | 4823 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Hermann-Mauguin symmetry space group | P -1 |
| Hall symmetry space group | -P 1 |
| Residual factor for all reflections | 0.1084 |
| Residual factor for observed reflections | 0.0719 |
| Weighted residual factors for the observed reflections | 0.2107 |
| Weighted residual factors for all reflections included in the refinement | 0.2315 |
| Goodness-of-fit parameter for observed reflections | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |