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Information card for entry 7218088
Preview
| Coordinates | 7218088.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H38 Ag N5 O7 |
|---|---|
| Calculated formula | C33 H38 Ag N5 O7 |
| Title of publication | Temperature-induced one-dimensional chiral Ag(i) linear chains and left-handed 21helices: DFT studies, luminescence and SHG response |
| Authors of publication | Cheng, Lin; Wang, Jun; Qi, Qi; Zhang, Xiuying; Yu, Haiyan; Gou, Shaohua; Fang, Lei |
| Journal of publication | CrystEngComm |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 43 |
| Pages of publication | 10056 |
| a | 9.0885 ± 0.0019 Å |
| b | 10.008 ± 0.002 Å |
| c | 10.316 ± 0.002 Å |
| α | 84.68 ± 0.003° |
| β | 83.399 ± 0.003° |
| γ | 66.85 ± 0.003° |
| Cell volume | 855.9 ± 0.3 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0923 |
| Residual factor for significantly intense reflections | 0.0841 |
| Weighted residual factors for significantly intense reflections | 0.1743 |
| Weighted residual factors for all reflections included in the refinement | 0.1811 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7218088.cif |
| 126365 | 2014-11-06 | cif/ Updating files of 7218088, 7218089, 7218090, 7218091 Original log message: Adding full bibliography for 7218088--7218091.cif. |
7218088.cif |
| 123715 | 2014-09-12 | cif/ Adding structures of 7218088, 7218089, 7218090, 7218091 via cif-deposit CGI script. |
7218088.cif |
All data in the COD and the database itself are dedicated to the
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CC0
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Users of the data should acknowledge the original authors of the
structural data.