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Information card for entry 2021039
Preview
| Coordinates | 2021039.cif |
|---|---|
| Structure factors | 2021039.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis[2,6-bis(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)pyridine-κ<i>N</i>]nickel(II) sulfate‒dimethylformamide‒water (1/1/4.25) |
|---|---|
| Formula | C41 H41.5 N11 Ni O9.25 S |
| Calculated formula | C41 H33 N11 Ni O9.25 S |
| Title of publication | Topological study of diverse hydrogen-bonded patterns found in a system of a nickel(II) complex and the sulfate anion |
| Authors of publication | Harvey, Miguel Angel; Suarez, Sebastián; Zolotarev, Pavel N.; Proserpio, Davide M.; Baggio, Ricardo |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 3 |
| a | 13.406 ± 0.005 Å |
| b | 24.365 ± 0.005 Å |
| c | 28.114 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 9183 ± 4 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 56 |
| Hermann-Mauguin space group symbol | P c c n |
| Hall space group symbol | -P 2ab 2ac |
| Residual factor for all reflections | 0.2171 |
| Residual factor for significantly intense reflections | 0.086 |
| Weighted residual factors for significantly intense reflections | 0.2284 |
| Weighted residual factors for all reflections included in the refinement | 0.334 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.845 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 206644 (current) | 2018-02-24 | cif/ hkl/ Adding structures of 2021037, 2021038, 2021039 via cif-deposit CGI script. |
2021039.cif 2021039.hkl |
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