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Information card for entry 1529297
Preview
Coordinates | 1529297.cif |
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Original paper (by DOI) | HTML |
Formula | C38 H54 Cl Cr N2 O6 |
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Calculated formula | C38 H54 Cl Cr N2 O6 |
SMILES | [Cr]123(Cl)(Oc4c(cc(OC)cc4C[N]2(Cc2cc(OC)cc(c2O1)C(C)(C)C)Cc1[n]3cccc1)C(C)(C)C)[O]1CCCC1.O1CCCC1 |
Title of publication | Cyclohexene oxide/carbon dioxide copolymerization by chromium(iii) amino-bis(phenolato) complexes and MALDI-TOF MS analysis of the polycarbonates |
Authors of publication | Devaine-Pressing, Katalin; Dawe, Louise N.; Kozak, Christopher M. |
Journal of publication | Polym. Chem. |
Year of publication | 2015 |
Journal volume | 6 |
Journal issue | 35 |
Pages of publication | 6305 |
a | 17.119 ± 0.003 Å |
b | 11.491 ± 0.0018 Å |
c | 37.818 ± 0.006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 7439 ± 2 Å3 |
Cell temperature | 163 ± 2 K |
Ambient diffraction temperature | 163 ± 2 K |
Number of distinct elements | 6 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.0477 |
Residual factor for significantly intense reflections | 0.0446 |
Weighted residual factors for significantly intense reflections | 0.1133 |
Weighted residual factors for all reflections included in the refinement | 0.1177 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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