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Information card for entry 4068476
Preview
Coordinates | 4068476.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C58 H72 N2 Zr |
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Calculated formula | C58 H72 N2 Zr |
SMILES | [Zr]1(N([C@@H]([C@@H](N1c1cc(cc(c1)C(C)(C)C)C(C)(C)C)Cc1ccccc1)Cc1ccccc1)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)(Cc1ccccc1)Cc1ccccc1.[Zr]1(N([C@H]([C@H](N1c1cc(cc(c1)C(C)(C)C)C(C)(C)C)Cc1ccccc1)Cc1ccccc1)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)(Cc1ccccc1)Cc1ccccc1 |
Title of publication | Controlled Benzylation of α-Diimine Ligands Bound to Zirconium and Hafnium: An Alternative Method for Preparing Mono- and Bis(amido)M(CH2Ph)n(n= 2, 3) Complexes as Catalyst Precursors for Isospecific Polymerization of α-Olefins |
Authors of publication | Tsurugi, Hayato; Ohnishi, Ryuji; Kaneko, Hiroshi; Panda, Tarun K.; Mashima, Kazushi |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 3 |
Pages of publication | 680 |
a | 12.7079 ± 0.0008 Å |
b | 17.9374 ± 0.0012 Å |
c | 22.2068 ± 0.0014 Å |
α | 90° |
β | 97.429 ± 0.002° |
γ | 90° |
Cell volume | 5019.5 ± 0.6 Å3 |
Cell temperature | 120 ± 1 K |
Ambient diffraction temperature | 120 ± 1 K |
Number of distinct elements | 4 |
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 | 0.1149 |
Residual factor for significantly intense reflections | 0.0611 |
Weighted residual factors for significantly intense reflections | 0.1351 |
Weighted residual factors for all reflections included in the refinement | 0.1453 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.871 |
Diffraction radiation wavelength | 0.71075 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/4068476.html
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