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Information card for entry 1520584
Preview
Coordinates | 1520584.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H48 Hf N2 O4 |
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Calculated formula | C32 H48 Hf N2 O4 |
SMILES | [Hf]123(OC(C)C)(OC(C)C)Oc4c(cc(cc4C)C)C[N]42CCC[C@H]4[C@@H]2[N]3(CCC2)Cc2cc(cc(c2O1)C)C |
Title of publication | Metal influence on the iso- and hetero-selectivity of complexes of bipyrrolidine derived salan ligands for the polymerisation of rac-lactide |
Authors of publication | Jones, Matthew D.; Brady, Lauren; McKeown, Paul; Buchard, Antoine; Schäfer, Pascal M.; Thomas, Lynne H.; Mahon, Mary F.; Woodman, Timothy J.; Lowe, John P. |
Journal of publication | Chem. Sci. |
Year of publication | 2015 |
Journal volume | 6 |
Journal issue | 8 |
Pages of publication | 5034 |
a | 14.0484 ± 0.0001 Å |
b | 13.4118 ± 0.0001 Å |
c | 16.8344 ± 0.0001 Å |
α | 90° |
β | 101.404 ± 0.001° |
γ | 90° |
Cell volume | 3109.22 ± 0.04 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.0427 |
Residual factor for significantly intense reflections | 0.0394 |
Weighted residual factors for significantly intense reflections | 0.1042 |
Weighted residual factors for all reflections included in the refinement | 0.1081 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1520584.html
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