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Information card for entry 7049114
Preview
| Coordinates | 7049114.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C32 H20 N4 Ni O2 |
|---|---|
| Calculated formula | C32 H20 N4 Ni O2 |
| Title of publication | Strapping a benzaldehyde-appended 2,2'-bis-dipyrrin Zn(ii) double-stranded helicate using imine bond formation. |
| Authors of publication | Zhang, Fan; Fluck, Audrey; Baudron, Stéphane A; Hosseini, Mir Wais |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2019 |
| Journal volume | 48 |
| Journal issue | 13 |
| Pages of publication | 4105 - 4108 |
| a | 9.8321 ± 0.0003 Å |
| b | 10.7832 ± 0.0003 Å |
| c | 13.3416 ± 0.0003 Å |
| α | 103.169 ± 0.001° |
| β | 102.624 ± 0.001° |
| γ | 111.822 ± 0.001° |
| Cell volume | 1204.51 ± 0.06 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 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 | 0.0628 |
| Residual factor for significantly intense reflections | 0.0416 |
| Weighted residual factors for significantly intense reflections | 0.0946 |
| Weighted residual factors for all reflections included in the refinement | 0.1051 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301850 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure. |
7049114.cif |
| 224281 | 2019-11-08 | cif/ Updating files of 7049113, 7049114, 7049115, 7049116 Original log message: Adding full bibliography for 7049113--7049116.cif. |
7049114.cif |
| 213779 | 2019-02-22 | cif/ Adding structures of 7049113, 7049114, 7049115, 7049116 via cif-deposit CGI script. |
7049114.cif |
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Users of the data should acknowledge the original authors of the
structural data.