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CIF Information Card
Information card for 2015329
2015328 << 2015329 >> 2015330Preview
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Coordinates |
2015329.cif |
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Structure factors |
2015329.hkl |
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Original IUCr paper |
HTML |
Structure parameters
| Chemical name | (SFc)-[2-(2-dibenzo-1-thio-1H-1\l^5^-phosphol-1-yl)ferrocenyl]methanol |
| Formula | - C23 H19 Fe O P S - |
| Calculated formula | - C23 H19 Fe O P S - |
| Title of publication | Three new enantiomerically pure ferrocenyl phosphole compounds |
| Authors of publication | José Guadalupe Lopez Cortes; Sandrine Vincendeau; Jean-Claude Daran; Eric Manoury; Maryse Gouygou |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2006 |
| Journal volume | 62 |
| Journal issue | 5 |
| Pages of publication | m188 - m191 |
| a | 7.111 ± 0.0013 Å |
| b | 12.862 ± 0.003 Å |
| c | 10.223 ± 0.002 Å |
| α | 90° |
| β | 96.73 ± 0.02° |
| γ | 90° |
| Cell volume | 928.6 ± 0.3 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 6 |
| Hermann-Mauguin symmetry space group | P 1 21 1 |
| Hall symmetry space group | P 2yb |
| Residual factor for all reflections | 0.0288 |
| Residual factor for observed reflections | 0.0256 |
| Weighted residual factors for the observed reflections | 0.0596 |
| Weighted residual factors for all reflections included in the refinement | 0.0608 |
| Goodness-of-fit parameter for observed reflections | 0.982 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |