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Information card for entry 4089108
Preview
Coordinates | 4089108.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C56 H75 Br2 Fe2 N O3 P2 |
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Calculated formula | C56 H75 Br2 Fe2 N O3 P2 |
Title of publication | Iron(II) Complexes Containing Chiral Unsymmetrical PNP′ Pincer Ligands: Synthesis and Application in Asymmetric Hydrogenations |
Authors of publication | Zirakzadeh, Afrooz; Kirchner, Karl; Roller, Alexander; Stöger, Berthold; Widhalm, Michael; Morris, Robert H. |
Journal of publication | Organometallics |
Year of publication | 2016 |
Journal volume | 35 |
Journal issue | 21 |
Pages of publication | 3781 |
a | 9.5793 ± 0.0003 Å |
b | 19.0106 ± 0.0005 Å |
c | 29.2941 ± 0.0009 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5334.7 ± 0.3 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 7 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0464 |
Residual factor for significantly intense reflections | 0.0435 |
Weighted residual factors for significantly intense reflections | 0.1069 |
Weighted residual factors for all reflections included in the refinement | 0.1088 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4089108.html
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