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Information card for entry 7229367
Preview
Coordinates | 7229367.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H30 Li2 N2 O12 |
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Calculated formula | C20 H30 Li2 N2 O12 |
SMILES | c1(cc(Nc2ccccc2)c(cc1Nc1ccccc1)C(=O)O[Li]([OH2])([OH2])[OH2])C(=O)O[Li]([OH2])([OH2])[OH2].O.O |
Title of publication | Investigating the crystal structures of alkaline and alkaline-earth metal salts of 2,5-(dianilino)terephthalic acid |
Authors of publication | Quarez, Eric; Deunf, Elise; Cadiou, Vincent; Gutel, Thibaut; Boucher, Florent; Guyomard, Dominique; Dolhem, Franck; Poizot, Philippe |
Journal of publication | CrystEngComm |
Year of publication | 2017 |
a | 7.4372 ± 0.0006 Å |
b | 8.2866 ± 0.0005 Å |
c | 10.62 ± 0.0013 Å |
α | 98.674 ± 0.007° |
β | 107.377 ± 0.014° |
γ | 90.655 ± 0.006° |
Cell volume | 616.38 ± 0.11 Å3 |
Cell temperature | 173 K |
Ambient diffraction temperature | 173 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1076 |
Residual factor for significantly intense reflections | 0.0491 |
Weighted residual factors for significantly intense reflections | 0.102 |
Weighted residual factors for all reflections included in the refinement | 0.1255 |
Goodness-of-fit parameter for significantly intense reflections | 1.54 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.42 |
Diffraction radiation probe | x-ray |
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/7229367.html
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Users of the data should acknowledge the original authors of the
structural data.