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Information card for entry 4326145
Preview
Coordinates | 4326145.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C53 H49 B Cl2 N O P |
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Calculated formula | C53 H49 B Cl2 N O P |
SMILES | [P+](c1c2c(c3c(cccc3)o2)ccc1)(c1ccccc1)(C)Nc1c(cc(cc1C)C)C.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl |
Title of publication | Toward Stereoselective Lactide Polymerization Catalysts: Cationic Zinc Complexes Supported by a Chiral Phosphinimine Scaffold |
Authors of publication | Hongsui Sun; Jamie S. Ritch; Paul G. Hayes |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 8063 - 8072 |
a | 10.5058 ± 0.0016 Å |
b | 11.3748 ± 0.0018 Å |
c | 18.371 ± 0.003 Å |
α | 81.683 ± 0.002° |
β | 88.606 ± 0.002° |
γ | 83.53 ± 0.002° |
Cell volume | 2158.4 ± 0.6 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0563 |
Residual factor for significantly intense reflections | 0.0477 |
Weighted residual factors for significantly intense reflections | 0.1327 |
Weighted residual factors for all reflections included in the refinement | 0.1387 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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