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Information card for entry 4074660
Preview
Coordinates | 4074660.cif |
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Original paper (by DOI) | HTML |
Chemical name | [N,N'-1,3-tetrakis(1,1-dimethylethyl)- 1,3,2,4-diazadiphosphetidine-2,4-diaminato(2-)-κN2,κN4] [1,1-oxybis(ethane)]phenylmethylzirconium(1+) tetrakis(pentafluorophenyl)borate(1-) |
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Formula | C52 H60 B F15 N4 O P2 Zr |
Calculated formula | C52 H60 B F15 N4 O P2 Zr |
SMILES | [Zr]12([O](CC)CC)(N(P3[N]2(P(N1C(C)(C)C)N3C(C)(C)C)C(C)(C)C)C(C)(C)C)Cc1ccccc1.[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)Cc1ccccc1 |
Title of publication | Titanium and Zirconium Benzyl Complexes Bearing Bulky Bis(amido)cyclodiphosph(III)azanes: Synthesis, Structure, Activation, and Ethene Polymerization Studies |
Authors of publication | Axenov, Kirill V.; Kilpeläinen, Ilkka; Klinga, Martti; Leskelä, Markku; Repo, Timo |
Journal of publication | Organometallics |
Year of publication | 2006 |
Journal volume | 25 |
Journal issue | 2 |
Pages of publication | 463 |
a | 10.87 ± 0.001 Å |
b | 33.707 ± 0.003 Å |
c | 15.506 ± 0.001 Å |
α | 90° |
β | 100.66 ± 0.01° |
γ | 90° |
Cell volume | 5583.3 ± 0.8 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 8 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0943 |
Residual factor for significantly intense reflections | 0.0536 |
Weighted residual factors for significantly intense reflections | 0.1097 |
Weighted residual factors for all reflections included in the refinement | 0.1222 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
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/4074660.html
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