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Information card for entry 4080018
Preview
Coordinates | 4080018.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H38 Fe |
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Calculated formula | C26 H38 Fe |
SMILES | [Fe]12345678(C[C]1(=[CH]2[C]13=[CH]4C[C@H]2C[C@@H]1C2(C)C)C)C[C]5(=[CH]6[C]17=[CH]8C[C@H]2C[C@@H]1C2(C)C)C |
Title of publication | Synthesis and Coordination Chemistry of an Enantiomerically Pure Pentadienyl Ligand |
Authors of publication | Fecker, Ann Christin; Glückner, Andreas; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; Walter, Marc D. |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 3 |
Pages of publication | 874 |
a | 8.7907 ± 0.0002 Å |
b | 11.5333 ± 0.0002 Å |
c | 11.5809 ± 0.0002 Å |
α | 90° |
β | 111.23 ± 0.002° |
γ | 90° |
Cell volume | 1094.45 ± 0.04 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0248 |
Residual factor for significantly intense reflections | 0.0243 |
Weighted residual factors for significantly intense reflections | 0.0615 |
Weighted residual factors for all reflections included in the refinement | 0.0619 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4080018.html
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