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CIF Information Card
Information card for 7015679
7015678 << 7015679 >> 7015680Preview
|
Coordinates |
7015679.cif |
Structure parameters
| Formula | - C27 H22 Br2 Fe N P Zn - |
| Calculated formula | - C27 H22 Br2 Fe N P Zn - |
| Title of publication | The coordination behaviour of ferrocene-based pyridylphosphine ligands towards Zn(II), Cd(II) and Hg(II). |
| Authors of publication | Siemeling, Ulrich; Klemann, Thorsten; Bruhn, Clemens; Schulz, Jiří; Štěpnička, Petr |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 17 |
| Pages of publication | 4722 - 4740 |
| a | 15.3284 ± 0.001 Å |
| b | 9.0578 ± 0.0006 Å |
| c | 18.4976 ± 0.001 Å |
| α | 90° |
| β | 96.22 ± 0.005° |
| γ | 90° |
| Cell volume | 2553.1 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Hermann-Mauguin symmetry space group | P 1 21/c 1 |
| Hall symmetry space group | -P 2ybc |
| Residual factor for all reflections | 0.0595 |
| Residual factor for observed reflections | 0.0408 |
| Weighted residual factors for the observed reflections | 0.0861 |
| Weighted residual factors for all reflections included in the refinement | 0.0915 |
| Goodness-of-fit parameter for observed reflections | 0.93 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |