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Information card for entry 4086558
Preview
Coordinates | 4086558.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C39 H35 I2 N2 P Zr |
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Calculated formula | C39 H35 I2 N2 P Zr |
SMILES | I[Zr]12(I)[P](Cc4c(N1c1ccccc1)cccc4)(Cc1c(N2c2ccccc2)cccc1)c1ccccc1.c1(ccccc1)C |
Title of publication | Closely Related Benzylene-Linked Diamidophosphine Scaffolds and Their Zirconium and Hafnium Complexes: How Small Changes of the Ligand Result in Different Complex Stabilities and Reactivities |
Authors of publication | Batke, Sonja; Sietzen, Malte; Merz, Lukas; Wadepohl, Hubert; Ballmann, Joachim |
Journal of publication | Organometallics |
Year of publication | 2016 |
Journal volume | 35 |
Journal issue | 13 |
Pages of publication | 2294 |
a | 16.0977 ± 0.0003 Å |
b | 10.43778 ± 0.00018 Å |
c | 21.0529 ± 0.0003 Å |
α | 90° |
β | 92.9851 ± 0.0013° |
γ | 90° |
Cell volume | 3532.6 ± 0.1 Å3 |
Cell temperature | 120 ± 1 K |
Ambient diffraction temperature | 120 ± 1 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0503 |
Residual factor for significantly intense reflections | 0.0359 |
Weighted residual factors for significantly intense reflections | 0.0662 |
Weighted residual factors for all reflections included in the refinement | 0.0723 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/4086558.html
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Users of the data should acknowledge the original authors of the
structural data.