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Information card for entry 4084031
Preview
Coordinates | 4084031.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H28 Zr |
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Calculated formula | C25 H28 Zr |
SMILES | [Zr]123456789%10([CH2]=[C]1(C2[C]13=[CH]4C[C@H]2C[C@@H]1C2(C)C)c1ccccc1)[cH]1[cH]5[cH]6[cH]7[cH]8[cH]9[cH]%101 |
Title of publication | Synthesis and Coordination Chemistry of Pentadienyl Ligands Derived from (1R)-(−)-Myrtenal |
Authors of publication | Fecker, Ann Christin; Crăciun, Bogdan-Florin; Freytag, Matthias; Jones, Peter G.; Walter, Marc D. |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 14 |
Pages of publication | 3792 |
a | 6.5559 ± 0.0002 Å |
b | 18.9486 ± 0.0005 Å |
c | 15.7614 ± 0.0004 Å |
α | 90° |
β | 90.924 ± 0.003° |
γ | 90° |
Cell volume | 1957.71 ± 0.09 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 | 0.0256 |
Residual factor for significantly intense reflections | 0.0247 |
Weighted residual factors for significantly intense reflections | 0.0588 |
Weighted residual factors for all reflections included in the refinement | 0.0594 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4084031.html
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