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CIF Information Card
Information card for 7205882
7205881 << 7205882 >> 7205883Preview
|
Coordinates |
7205882.cif |
Structure parameters
| Common name | (Fe4(PyHCH2PO3)4(H2O)12(Cl)(ClO4)7xH2O) |
| Formula | - C24 H54 Cl8 Fe4 N4 O53 P4 - |
| Calculated formula | - C24 H52 Cl8 Fe4 N4 O53 P4 - |
| Title of publication | 2-Pyridylmethylphosphonic acid: a flexible, multi-dentate ligand for metal phosphonates |
| Authors of publication | Zavras, Athanasios; Fry, Julie A.; Beavers, Christine M.; Talbo, Gert H.; Richards, Anne F. |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 10 |
| Pages of publication | 3551 |
| a | 11.051 ± 0.003 Å |
| b | 14.563 ± 0.004 Å |
| c | 20.651 ± 0.006 Å |
| α | 90° |
| β | 92.526 ± 0.006° |
| γ | 90° |
| Cell volume | 3320.3 ± 1.6 Å3 |
| Cell temperature | 213 ± 2 K |
| Ambient diffraction temperature | 213 ± 2 K |
| Number of distinct elements | 7 |
| Hermann-Mauguin symmetry space group | P 1 2/n 1 |
| Hall symmetry space group | -P 2yac |
| Residual factor for all reflections | 0.0971 |
| Residual factor for observed reflections | 0.0666 |
| Weighted residual factors for the observed reflections | 0.1756 |
| Weighted residual factors for all reflections included in the refinement | 0.2009 |
| Goodness-of-fit parameter for observed reflections | 0.996 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |