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Information card for entry 4108138
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Coordinates | 4108138.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [(C3H7)4N][C(NH2)3][(C6H3)2(COOH)2(COO)2] |
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Formula | C29 H42 N4 O8 |
Calculated formula | C29 H42 N4 O8 |
SMILES | c1(c(cccc1C(=O)O)C(=O)[O-])c1c(cccc1C(=O)[O-])C(=O)O.C(=[NH2+])(N)N.[N+](CCC)(CCC)(CCC)CCC |
Title of publication | Designed Supramolecular Assembly of Hydrogen-Bonded Anionic Rosette Layers |
Authors of publication | Jie Han; Chung-Wah Yau; Chi-Keung Lam; Thomas C. W. Mak |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 10315 - 10326 |
a | 12.2393 ± 0.0017 Å |
b | 15.769 ± 0.002 Å |
c | 16.204 ± 0.002 Å |
α | 90° |
β | 101.315 ± 0.003° |
γ | 90° |
Cell volume | 3066.6 ± 0.7 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0979 |
Residual factor for significantly intense reflections | 0.0474 |
Weighted residual factors for significantly intense reflections | 0.1083 |
Weighted residual factors for all reflections included in the refinement | 0.1373 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4108138.html
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Users of the data should acknowledge the original authors of the
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