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CIF Information Card
Information card for 7015454
7015453 << 7015454 >> 7015455Preview
|
Coordinates |
7015454.cif |
Structure parameters
| Formula | - C14 H24 Fe I2 N2 - |
| Calculated formula | - C14 H24 Fe I2 N2 - |
| Title of publication | Binding and photodissociation of CO in iron(ii) complexes for application in positron emission tomography (PET) radiolabelling. |
| Authors of publication | Child, Chloe R.; Kealey, Steven; Jones, Harriet; Miller, Philip W.; White, Andrew J. P.; Gee, Anthony D.; Long, Nicholas J. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 23 |
| Pages of publication | 6210 - 6215 |
| a | 13.0697 ± 0.0004 Å |
| b | 7.0217 ± 0.0002 Å |
| c | 20.4319 ± 0.0008 Å |
| α | 90° |
| β | 98.02 ± 0.004° |
| γ | 90° |
| Cell volume | 1856.73 ± 0.11 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | I 1 2/a 1 |
| Hall symmetry space group | -I 2ya |
| Residual factor for all reflections | 0.0672 |
| Residual factor for observed reflections | 0.0623 |
| Weighted residual factors for the observed reflections | 0.1536 |
| Weighted residual factors for all reflections included in the refinement | 0.1584 |
| Goodness-of-fit parameter for observed reflections | 1.094 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |