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Information card for entry 7216416
Preview
| Coordinates | 7216416.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 2*1,3,5-Tris(2,6-dimethyl-4-carboxyphenyl)benzene+2*Dimethoxyethane+2*H2O |
|---|---|
| Formula | C74 H84 O18 |
| Calculated formula | C74 H80 O18 |
| Title of publication | Self-assembly of sterically-rigidified 3-connecting benzenetribenzoic acid into (6,3) and (3,3) nets and stabilization of water channel in the crystal lattice |
| Authors of publication | Bajpai, Alankriti; Venugopalan, Paloth; Moorthy, Jarugu Narasimha |
| Journal of publication | CrystEngComm |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 22 |
| Pages of publication | 4853 |
| a | 25.35 ± 0.004 Å |
| b | 25.35 ± 0.004 Å |
| c | 18.979 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 10562 ± 3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 169 |
| Hermann-Mauguin space group symbol | P 61 |
| Hall space group symbol | P 61 |
| Residual factor for all reflections | 0.1038 |
| Residual factor for significantly intense reflections | 0.0728 |
| Weighted residual factors for significantly intense reflections | 0.1768 |
| Weighted residual factors for all reflections included in the refinement | 0.1948 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180495 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/64. |
7216416.cif |
| 116041 | 2014-06-06 | cif/ Adding structures of 7216414, 7216415, 7216416, 7216417 via cif-deposit CGI script. |
7216416.cif |
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Users of the data should acknowledge the original authors of the
structural data.