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Information card for entry 7125610
Preview
| Coordinates | 7125610.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C78 H96 O18 Pb |
|---|---|
| Calculated formula | C78 H96 O18 Pb |
| Title of publication | p-tert-Butylcalix[6]arene hexacarboxylic acid conformational switching and octahedral coordination with Pb(II) and Sr(II). |
| Authors of publication | Adhikari, Birendra Babu; Ohto, Keisuke; Schramm, Michael P. |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2014 |
| Journal volume | 50 |
| Journal issue | 15 |
| Pages of publication | 1903 - 1905 |
| a | 28.3035 ± 0.0007 Å |
| b | 28.3035 ± 0.0007 Å |
| c | 28.3035 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 22673.6 ± 1 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 222 |
| Hermann-Mauguin space group symbol | P n -3 n :2 |
| Hall space group symbol | -P 4a 2bc 3 |
| Residual factor for all reflections | 0.0678 |
| Residual factor for significantly intense reflections | 0.0424 |
| Weighted residual factors for significantly intense reflections | 0.1243 |
| Weighted residual factors for all reflections included in the refinement | 0.1378 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244392 (current) | 2019-11-28 | cif/ Adding structures of 7125610 via cif-deposit CGI script. |
7125610.cif |
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Users of the data should acknowledge the original authors of the
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