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Information card for entry 4074761
Preview
Coordinates | 4074761.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C54 H62 N2 O4 Zr |
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Calculated formula | C54 H62 N2 O4 Zr |
SMILES | c12c(cc(cc1c1[n]3[Zr]45(O2)([n]2c(c6c(c(cc(c6)C)C(C)(C)C)O4)cccc2c2c(c(cc(c2)C)C(C)(C)C)O5)Oc2c(cc(cc2c3ccc1)C)C(C)(C)C)C)C(C)(C)C |
Title of publication | Synthesis, Structures, and Olefin Polymerization Characteristics of Group 4 Catalysts [Zr{(OAr)2py}Cl2(D)] (D = O-Donors, Cl[HPR3]) Supported by Tridentate Pyridine-2,6-bis(aryloxide) Ligands |
Authors of publication | Chan, Michael C. W.; Tam, Ka-Ho; Zhu, Nianyong; Chiu, Pauline; Matsui, Shigekazu |
Journal of publication | Organometallics |
Year of publication | 2006 |
Journal volume | 25 |
Journal issue | 3 |
Pages of publication | 785 |
a | 18.376 ± 0.003 Å |
b | 18.376 ± 0.003 Å |
c | 29.187 ± 0.006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 9856 ± 3 Å3 |
Cell temperature | 301 ± 2 K |
Ambient diffraction temperature | 301 ± 2 K |
Number of distinct elements | 5 |
Space group number | 142 |
Hermann-Mauguin space group symbol | I 41/a c d :2 |
Hall space group symbol | -I 4bd 2c |
Residual factor for all reflections | 0.0556 |
Residual factor for significantly intense reflections | 0.0355 |
Weighted residual factors for significantly intense reflections | 0.0897 |
Weighted residual factors for all reflections included in the refinement | 0.0935 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.894 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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