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Information card for entry 7230295
Preview
| Coordinates | 7230295.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C44 H76 N4 O20 P6 Zn2 |
|---|---|
| Calculated formula | C44 H76 N4 O20 P6 Zn2 |
| Title of publication | Mimicking cellular phospholipid bilayer packing creates predictable crystalline molecular metal–organophosphonate macrocycles and cages |
| Authors of publication | Bulut, Aysun; Maares, Maria; Atak, Kaan; Zorlu, Yunus; Çoşut, Bünyemin; Zubieta, Jon; Beckmann, Jens; Haase, Hajo; Yücesan, Gündoğ |
| Journal of publication | CrystEngComm |
| Year of publication | 2018 |
| Journal volume | 20 |
| Journal issue | 15 |
| Pages of publication | 2152 |
| a | 8.6054 ± 0.0008 Å |
| b | 16.7131 ± 0.0015 Å |
| c | 39.418 ± 0.003 Å |
| α | 90° |
| β | 92.227 ± 0.002° |
| γ | 90° |
| Cell volume | 5664.9 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1062 |
| Residual factor for significantly intense reflections | 0.0695 |
| Weighted residual factors for significantly intense reflections | 0.1614 |
| Weighted residual factors for all reflections included in the refinement | 0.174 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7230295.cif |
| 229098 | 2019-11-17 | cif/ Updating files of 7230295, 7230296 Original log message: Adding full bibliography for 7230295--7230296.cif. |
7230295.cif |
| 206939 | 2018-03-14 | cif/ Adding structures of 7230295, 7230296 via cif-deposit CGI script. |
7230295.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.