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Information card for entry 7042594
Preview
| Coordinates | 7042594.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H80 N4 O4 Zr |
|---|---|
| Calculated formula | C48 H80 N4 O4 Zr |
| Title of publication | Ligands and complexes based on piperidine and their exploitation of the ring opening polymerisation of rac-lactide. |
| Authors of publication | McKeown, Paul; Brown-Humes, James; Davidson, Matthew G.; Mahon, Mary F.; Woodman, Timothy J.; Jones, Matthew D. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2017 |
| Journal volume | 46 |
| Journal issue | 15 |
| Pages of publication | 5048 - 5057 |
| a | 9.7777 ± 0.0002 Å |
| b | 14.346 ± 0.0003 Å |
| c | 19.2145 ± 0.0006 Å |
| α | 76.662 ± 0.002° |
| β | 81.066 ± 0.002° |
| γ | 71.741 ± 0.002° |
| Cell volume | 2480.42 ± 0.11 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150.01 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0326 |
| Residual factor for significantly intense reflections | 0.0292 |
| Weighted residual factors for significantly intense reflections | 0.0734 |
| Weighted residual factors for all reflections included in the refinement | 0.0752 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 196470 (current) | 2017-05-06 | cif/ Updating files of 7042587, 7042588, 7042589, 7042590, 7042591, 7042592, 7042593, 7042594, 7042595 Original log message: Adding full bibliography for 7042587--7042595.cif. |
7042594.cif |
| 194468 | 2017-03-24 | cif/ Adding structures of 7042587, 7042588, 7042589, 7042590, 7042591, 7042592, 7042593, 7042594, 7042595 via cif-deposit CGI script. |
7042594.cif |
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Users of the data should acknowledge the original authors of the
structural data.