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Information card for entry 4071373
Preview
Coordinates | 4071373.cif |
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Original paper (by DOI) | HTML |
Formula | C47 H57 N O2 Ti |
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Calculated formula | C47 H57 N O2 Ti |
SMILES | [Ti]12(Oc3c(cc(cc3c3[n]2c(ccc3)c2cc(cc(c2O1)C(CC)(CC)CC)C)C)C(CC)(CC)CC)(Cc1ccccc1)Cc1ccccc1 |
Title of publication | Zirconium and Titanium Complexes Supported by Tridentate LX2Ligands Having Two Phenolates Linked to Furan, Thiophene, and Pyridine Donors: Precatalysts for Propylene Polymerization and Oligomerization |
Authors of publication | Agapie, Theodor; Henling, Lawrence M.; DiPasquale, Antonio G.; Rheingold, Arnold L.; Bercaw, John E. |
Journal of publication | Organometallics |
Year of publication | 2008 |
Journal volume | 27 |
Journal issue | 23 |
Pages of publication | 6245 |
a | 11.2513 ± 0.0004 Å |
b | 13.1612 ± 0.0004 Å |
c | 13.7639 ± 0.0004 Å |
α | 76.075 ± 0.001° |
β | 81.769 ± 0.001° |
γ | 84.868 ± 0.001° |
Cell volume | 1954.68 ± 0.11 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0764 |
Residual factor for significantly intense reflections | 0.0471 |
Weighted residual factors for significantly intense reflections | 0.0966 |
Weighted residual factors for all reflections included in the refinement | 0.1019 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.329 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4071373.html
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