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Information card for entry 4080020
Preview
Coordinates | 4080020.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H26 Zr |
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Calculated formula | C20 H26 Zr |
SMILES | [Zr]123456789%10([CH]%11=[CH]1[CH]2=[CH]3[CH]4=[CH]5C6%11)C[C]7(=[CH]8[C]19=[CH]%10C[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 | 8.0907 ± 0.0002 Å |
b | 10.9532 ± 0.0002 Å |
c | 18.8076 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1666.71 ± 0.06 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
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 | 0.0149 |
Residual factor for significantly intense reflections | 0.0142 |
Weighted residual factors for significantly intense reflections | 0.035 |
Weighted residual factors for all reflections included in the refinement | 0.0353 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4080020.html
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