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Information card for entry 7711454
Preview
| Coordinates | 7711454.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H48 Mn N2 O2 S2 |
|---|---|
| Calculated formula | C40 H48 Mn N2 O2 S2 |
| Title of publication | Where is the Unpaired-Electron Density? A Combined Experimental and Theoretical Finding on Geometric and Electronic Structures of Co(III) and Mn(IV) Complexes of Unsymmetrical Non-innocent Pincer ONS Ligand |
| Authors of publication | Mukherjee, Chandan; Sarkar, Prasenjit; Sarmah, Amrit |
| Journal of publication | Dalton Transactions |
| Year of publication | 2022 |
| a | 21.3127 ± 0.001 Å |
| b | 18.3726 ± 0.0008 Å |
| c | 10.8905 ± 0.0005 Å |
| α | 90° |
| β | 103.952 ± 0.004° |
| γ | 90° |
| Cell volume | 4138.6 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0669 |
| Residual factor for significantly intense reflections | 0.0492 |
| Weighted residual factors for significantly intense reflections | 0.122 |
| Weighted residual factors for all reflections included in the refinement | 0.1305 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 278534 (current) | 2022-10-12 | cif/ Adding structures of 7711453, 7711454 via cif-deposit CGI script. |
7711454.cif |
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