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Information card for entry 1571376
Preview
| Coordinates | 1571376.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H28 Mn N4 O5 |
|---|---|
| Calculated formula | C24 H28 Mn N4 O5 |
| Title of publication | Energetic Features of H-Bonded and π-Stacked Assemblies in Pyrazole-Based Coordination Compounds of Mn(II) and Cu(II): Experimental and Theoretical Studies |
| Authors of publication | Boro, Mridul; Baishya, Trishnajyoti; Frontera, Antonio; Barceló-Oliver, Miquel; Bhattacharyya, Manjit K. |
| Journal of publication | Crystals |
| Year of publication | 2024 |
| Journal volume | 14 |
| Journal issue | 4 |
| Pages of publication | 318 |
| a | 19.2401 ± 0.001 Å |
| b | 12.1579 ± 0.0007 Å |
| c | 10.1312 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2369.9 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0434 |
| Residual factor for significantly intense reflections | 0.0414 |
| Weighted residual factors for significantly intense reflections | 0.1109 |
| Weighted residual factors for all reflections included in the refinement | 0.1133 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 291081 (current) | 2024-04-05 | cif/ Adding structures of 1571376 via cif-deposit CGI script. |
1571376.cif |
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