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Information card for entry 4067702
Preview
Coordinates | 4067702.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C62 H88 N4 O4 Ti |
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Calculated formula | C62 H88 N4 O4 Ti |
SMILES | c12c(cc(cc1N1C=3N(CC1)c1cc(cc(c1O[Ti]143(=C3N(c5c(c(cc(c5)C(C)(C)C)C(C)(C)C)O1)CCN3c1cc(cc(c1O4)C(C)(C)C)C(C)(C)C)O2)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C |
Title of publication | Synthesis and Structural Characterization of a Novel Family of Titanium Complexes Bearing a Tridentate Bis-phenolate-N-heterocyclic Carbene Dianionic Ligand and Their Use in the Controlled ROP ofrac-Lactide |
Authors of publication | Romain, Charles; Brelot, Lydia; Bellemin-Laponnaz, Stéphane; Dagorne, Samuel |
Journal of publication | Organometallics |
Year of publication | 2010 |
Journal volume | 29 |
Journal issue | 5 |
Pages of publication | 1191 |
a | 14.5859 ± 0.0003 Å |
b | 24.0921 ± 0.0006 Å |
c | 17.6654 ± 0.0003 Å |
α | 90° |
β | 99.242 ± 0.001° |
γ | 90° |
Cell volume | 6127.1 ± 0.2 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1035 |
Residual factor for significantly intense reflections | 0.0623 |
Weighted residual factors for significantly intense reflections | 0.1647 |
Weighted residual factors for all reflections included in the refinement | 0.1836 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.999 |
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/4067702.html
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Users of the data should acknowledge the original authors of the
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