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Information card for entry 1513296
Preview
Coordinates | 1513296.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C69 H122 Cr2 N4 O14.5 S |
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Calculated formula | C69 H113 Cr2 N4 O14.5 S |
SMILES | [Cr]123(OS(=O)(=O)O[Cr]456(Oc7c(cc(cc7C(C)(C)C)C(C)(C)C)C[N]5(C)CC[N]6(C)Cc5c(O4)c(cc(c5)C(C)(C)C)C(C)(C)C)OC)(Oc4c(cc(cc4C(C)(C)C)C(C)(C)C)C[N]2(C)CC[N]3(C)Cc2c(O1)c(cc(c2)C(C)(C)C)C(C)(C)C)[OH2].O.O.O.O.O |
Title of publication | Highly Selective and Reactive (salan)CrCl Catalyst for the Copolymerization and Block Copolymerization of Epoxides with Carbon Dioxide |
Authors of publication | Darensbourg, Donald J.; Ulusoy, Mahmut; Karroonnirum, Osit; Poland, Ross R.; Reibenspies, Joseph H.; Çetinkaya, Bekir |
Journal of publication | Macromolecules |
Year of publication | 2009 |
Journal volume | 42 |
Journal issue | 18 |
Pages of publication | 6992 |
a | 11.693 ± 0.005 Å |
b | 18.107 ± 0.005 Å |
c | 22.16 ± 0.005 Å |
α | 66.192 ± 0.005° |
β | 83.004 ± 0.005° |
γ | 74.907 ± 0.005° |
Cell volume | 4144 ± 2 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.2497 |
Residual factor for significantly intense reflections | 0.0939 |
Weighted residual factors for significantly intense reflections | 0.1801 |
Weighted residual factors for all reflections included in the refinement | 0.2657 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
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/1513296.html
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Users of the data should acknowledge the original authors of the
structural data.