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Information card for entry 4514582
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Coordinates | 4514582.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | N1,N4-(diterephthalic acid)terephthalamide |
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Formula | C36 H44 N6 O14 |
Calculated formula | C36 H44 N6 O14 |
Title of publication | Metal-Organic Gels Based on a Bisamide Tetracarboxyl Ligand for Carbon Dioxide, Sulfur Dioxide, and Selective Dye Uptake. |
Authors of publication | Dietrich, Dennis; Licht, Christopher; Nuhnen, Alexander; Höfert, Simon-Patrick; De Laporte, Laura; Janiak, Christoph |
Journal of publication | ACS applied materials & interfaces |
Year of publication | 2019 |
Journal volume | 11 |
Journal issue | 21 |
Pages of publication | 19654 - 19667 |
a | 6.3468 ± 0.0004 Å |
b | 12.4679 ± 0.0008 Å |
c | 13.0046 ± 0.0009 Å |
α | 70.524 ± 0.003° |
β | 85.858 ± 0.003° |
γ | 82.85 ± 0.003° |
Cell volume | 962.12 ± 0.11 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0393 |
Residual factor for significantly intense reflections | 0.0364 |
Weighted residual factors for significantly intense reflections | 0.0976 |
Weighted residual factors for all reflections included in the refinement | 0.1004 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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