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CIF Information Card
Information card for 2012495
2012494 << 2012495 >> 2012496Preview
|
Coordinates |
2012495.cif |
|
Structure factors |
2012495.hkl |
Structure parameters
| Formula | - C13 H12 Fe O3 - |
| Calculated formula | - C13 H12 Fe O3 - |
| Title of publication | 1-Acetylferrocene-1'-carboxylic acid: an instance of hydrogen bonding in the rare dimeric acid-to-ketone mode |
| Authors of publication | Newman, Jacob M.; Papadakis, Markos M.; Thompson, Hugh W.; Lalancette, Roger A. |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2002 |
| Journal volume | 58 |
| Pages of publication | m89 - m91 |
| a | 9.331 ± 0.005 Å |
| b | 8.769 ± 0.005 Å |
| c | 13.616 ± 0.008 Å |
| α | 90° |
| β | 92.29 ± 0.016° |
| γ | 90° |
| Cell volume | 1113.2 ± 1.1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P 1 21/c 1 |
| Hall symmetry space group | -P 2ybc |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |