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CIF Information Card
Information card for 7101611
7101610 << 7101611 >> 7101612Preview
|
Coordinates |
7101611.cif |
Structure parameters
| Formula | - C106 H94.5 Mn4 N8 O13.5 P4 - |
| Calculated formula | - C101.8 H75 Mn4 N6.51 O13.5 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 | 16.1648 ± 0.0011 Å |
| b | 17.4547 ± 0.0015 Å |
| c | 19.2761 ± 0.0013 Å |
| α | 79.7 ± 0.006° |
| β | 75.423 ± 0.006° |
| γ | 69.81 ± 0.007° |
| Cell volume | 4914.9 ± 0.6 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 | 0.1938 |
| Residual factor for observed reflections | 0.1021 |
| Weighted residual factors for the observed reflections | 0.241 |
| Weighted residual factors for all reflections included in the refinement | 0.2774 |
| Goodness-of-fit parameter for observed reflections | 0.97 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |