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Information card for entry 7230982
Preview
| Coordinates | 7230982.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H30 Cu N4 O10 |
|---|---|
| Calculated formula | C28 H30 Cu N4 O10 |
| Title of publication | Structural changes in coordination polymers in response to small changes in steric bulk (H vs. Me): an experimental and theoretical study |
| Authors of publication | Kyratzis, Nicholas; Cao, Winnie; Izgorodina, Ekaterina I.; Turner, David R. |
| Journal of publication | CrystEngComm |
| Year of publication | 2018 |
| Journal volume | 20 |
| Journal issue | 29 |
| Pages of publication | 4115 |
| a | 27.105 ± 0.005 Å |
| b | 14.012 ± 0.003 Å |
| c | 7.495 ± 0.0015 Å |
| α | 90° |
| β | 94.37 ± 0.03° |
| γ | 90° |
| Cell volume | 2838.3 ± 1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1425 |
| Residual factor for significantly intense reflections | 0.0849 |
| Weighted residual factors for significantly intense reflections | 0.2502 |
| Weighted residual factors for all reflections included in the refinement | 0.2917 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.7108 Å |
| Diffraction radiation type | Synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 228875 (current) | 2019-11-17 | cif/ Updating files of 7230978, 7230979, 7230980, 7230981, 7230982, 7230983, 7230984, 7230985, 7230986, 7230987 Original log message: Adding full bibliography for 7230978--7230987.cif. |
7230982.cif |
| 208576 | 2018-06-21 | cif/ Adding structures of 7230978, 7230979, 7230980, 7230981, 7230982, 7230983, 7230984, 7230985, 7230986, 7230987 via cif-deposit CGI script. |
7230982.cif |
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Users of the data should acknowledge the original authors of the
structural data.