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Information card for entry 7044155
Preview
Coordinates | 7044155.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C31 H41 Cl4 Ga N2 O2 |
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Calculated formula | C31 H41 Cl4 Ga N2 O2 |
SMILES | c12c(cc(cc1C=[N]1[C@@H]3CCCC[C@H]3[N]3=Cc4c(c(cc(c4)C)C(C)(C)C)O[Ga]13(O2)Cl)C)C(C)(C)C.C(Cl)(Cl)Cl.c12c(cc(cc1C=[N]1[C@H]3CCCC[C@@H]3[N]3=Cc4c(c(cc(c4)C)C(C)(C)C)O[Ga]13(O2)Cl)C)C(C)(C)C.C(Cl)(Cl)Cl |
Title of publication | Mononuclear Salen-gallium complexes for iso-selective ring-opening polymerization (ROP) of rac-lactide |
Authors of publication | SPECKLIN, David; Fliedel, Christophe; Hild, Frédéric; Mameri, Samir; Karmazin, Lydia; Bailly, Corinne; Dagorne, Samuel |
Journal of publication | Dalton Trans. |
Year of publication | 2017 |
a | 12.015 ± 0.0007 Å |
b | 12.1751 ± 0.0007 Å |
c | 13.6371 ± 0.0008 Å |
α | 110.684 ± 0.001° |
β | 93.933 ± 0.001° |
γ | 115.863 ± 0.001° |
Cell volume | 1619.56 ± 0.17 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.0738 |
Residual factor for significantly intense reflections | 0.0388 |
Weighted residual factors for significantly intense reflections | 0.0688 |
Weighted residual factors for all reflections included in the refinement | 0.0768 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
200393 (current) | 2017-09-09 | cif/ Adding structures of 7044152, 7044153, 7044154, 7044155, 7044156 via cif-deposit CGI script. |
7044155.cif |
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Users of the data should acknowledge the original authors of the
structural data.