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Information card for entry 4084033
Preview
Coordinates | 4084033.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H35 P Zr |
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Calculated formula | C23 H35 P Zr |
SMILES | [Zr]123456789%10(C[C]1(=[CH]2[C]13=[CH]4C[C@H]2C[C@@H]1C2(C)C)C)(C1[CH]5=[CH]6[CH]7=[CH]8[CH]9=[CH]%101)[P](C)(C)C |
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 | 8.3511 ± 0.0003 Å |
b | 13.0443 ± 0.0004 Å |
c | 19.7724 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2153.89 ± 0.12 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0268 |
Residual factor for significantly intense reflections | 0.0257 |
Weighted residual factors for significantly intense reflections | 0.0634 |
Weighted residual factors for all reflections included in the refinement | 0.0641 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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