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Information card for entry 7249839
Preview
| Coordinates | 7249839.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36.3 H31.6 Cl0.6 N Ni O P2 S2 |
|---|---|
| Calculated formula | C36.3 H31.6 Cl0.6 N Ni O P2 S2 |
| Title of publication | Unravelling the role of –OCH3 positional isomerism and dihedral angle in Ni(ii)-dppe dithiolates for enhanced heterogeneous electrocatalytic oxygen evolution reaction (OER) |
| Authors of publication | Srivastava, Devyani; Kushwaha, Aparna; Chauhan, Ratna; Gosavi, Suresh W.; Ahmed, Sarfaraz; Kociok-Köhn, Gabriele; Kumar, Abhinav |
| Journal of publication | CrystEngComm |
| Year of publication | 2025 |
| Journal volume | 27 |
| Journal issue | 10 |
| Pages of publication | 1460 - 1473 |
| a | 14.8719 ± 0.0004 Å |
| b | 15.3304 ± 0.0004 Å |
| c | 16.0822 ± 0.0006 Å |
| α | 77.953 ± 0.002° |
| β | 82.524 ± 0.003° |
| γ | 75.348 ± 0.002° |
| Cell volume | 3457.65 ± 0.19 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150.01 ± 0.1 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0621 |
| Residual factor for significantly intense reflections | 0.0505 |
| Weighted residual factors for significantly intense reflections | 0.1331 |
| Weighted residual factors for all reflections included in the refinement | 0.1425 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| 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 |
|---|---|---|---|
| 298228 (current) | 2025-03-04 | cif/ Updating files of 7249838, 7249839, 7249840 Original log message: Adding full bibliography for 7249838--7249840.cif. |
7249839.cif |
| 297481 | 2025-01-28 | cif/ Adding structures of 7249838, 7249839, 7249840 via cif-deposit CGI script. |
7249839.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
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.
Users of the data should acknowledge the original authors of the
structural data.