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Information card for entry 7044558
Preview
| Coordinates | 7044558.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C104 H174 N2 O44 Ti10 |
|---|---|
| Calculated formula | C104 H164 N2 O44 Ti10 |
| Title of publication | Construction of molecular rectangles with titanium‒oxo clusters and rigid aromatic carboxylate ligands |
| Authors of publication | Ding, Qing-Rong; Liu, Jin-Xiu; Narayanam, Nagaraju; Zhang, Lei; Zhang, Jian |
| Journal of publication | Dalton Trans. |
| Year of publication | 2017 |
| a | 18.6395 ± 0.0004 Å |
| b | 17.7825 ± 0.0003 Å |
| c | 19.4352 ± 0.0004 Å |
| α | 90° |
| β | 95.404 ± 0.002° |
| γ | 90° |
| Cell volume | 6413.3 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0682 |
| Residual factor for significantly intense reflections | 0.0495 |
| Weighted residual factors for significantly intense reflections | 0.1266 |
| Weighted residual factors for all reflections included in the refinement | 0.1459 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202368 (current) | 2017-10-27 | cif/ Adding structures of 7044557, 7044558, 7044559, 7044560 via cif-deposit CGI script. |
7044558.cif |
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