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Information card for entry 8106654
Preview
| Coordinates | 8106654.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H54 N2 O7 |
|---|---|
| Calculated formula | C30 H54 N2 O7 |
| Title of publication | Crystal structure of bis(tetraethylammonium) [1,1′-biphenyl]-2,2′-dicarboxylate trihydrate, C30H54N2O7 |
| Authors of publication | Cheng, Di; Zai, Yanbing |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2017 |
| Journal volume | 232 |
| Journal issue | 5 |
| Pages of publication | 719 - 720 |
| a | 11.624 ± 0.0009 Å |
| b | 12.9628 ± 0.0011 Å |
| c | 10.5166 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1584.6 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 18 |
| Hermann-Mauguin space group symbol | P 21 21 2 |
| Hall space group symbol | P 2 2ab |
| Residual factor for all reflections | 0.0445 |
| Residual factor for significantly intense reflections | 0.0382 |
| Weighted residual factors for significantly intense reflections | 0.1083 |
| Weighted residual factors for all reflections included in the refinement | 0.1152 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280733 (current) | 2023-02-01 | cif/ Adding structures of 8106654 via cif-deposit CGI script. |
8106654.cif |
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Users of the data should acknowledge the original authors of the
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