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Information card for entry 4072111
Preview
Coordinates | 4072111.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [(META-nacnac)Ca]2 |
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Formula | C86 H110 Ca2 N8 |
Calculated formula | C86 H110 Ca2 N8 |
SMILES | CC(=[N]1c2c(C(C)C)cccc2C(C)C)C=C(N2c3cccc(N(C(=CC(=[N]4c5c(cccc5C(C)C)C(C)C)C)C)[Ca]45[N](=C(C=C(N5c4c(cccc4C(C)C)C(C)C)C)C)c4cccc(N([Ca]125)C(=CC(=[N]5c1c(cccc1C(C)C)C(C)C)C)C)c4)c3)C.c1ccccc1 |
Title of publication | Bimetallic Calcium and Zinc Complexes with Bridged β-Diketiminate Ligands: Investigations on Epoxide/CO2Copolymerization |
Authors of publication | Piesik, Dirk F.-J.; Range, Sven; Harder, Sjoerd |
Journal of publication | Organometallics |
Year of publication | 2008 |
Journal volume | 27 |
Journal issue | 23 |
Pages of publication | 6178 |
a | 30.8 ± 0.004 Å |
b | 16.172 ± 0.002 Å |
c | 16.66 ± 0.002 Å |
α | 90° |
β | 107.606 ± 0.008° |
γ | 90° |
Cell volume | 7909.6 ± 1.7 Å3 |
Cell temperature | 203 ± 2 K |
Ambient diffraction temperature | 203 ± 2 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.1392 |
Residual factor for significantly intense reflections | 0.0872 |
Weighted residual factors for significantly intense reflections | 0.203 |
Weighted residual factors for all reflections included in the refinement | 0.2436 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
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/4072111.html
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Users of the data should acknowledge the original authors of the
structural data.