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Information card for entry 7721175
Preview
| Coordinates | 7721175.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C81 H104 Mn N6 S7 |
|---|---|
| Calculated formula | C81 H104 Mn N6 S7 |
| Title of publication | Isolation of a Trigonal Bipyramidal Mn(II) Diradical Complex with an Intermediate Spin State (S = 3/2) |
| Authors of publication | Das, Sujit; Schwarz, Björn; Mondal, Kartik Chandra |
| Journal of publication | Dalton Transactions |
| Year of publication | 2026 |
| a | 15.8722 ± 0.0011 Å |
| b | 24.3069 ± 0.0017 Å |
| c | 22.5699 ± 0.0016 Å |
| α | 90° |
| β | 92.691 ± 0.002° |
| γ | 90° |
| Cell volume | 8698 ± 1.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0779 |
| Residual factor for significantly intense reflections | 0.0489 |
| Weighted residual factors for significantly intense reflections | 0.1203 |
| Weighted residual factors for all reflections included in the refinement | 0.1425 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 306679 (current) | 2026-06-30 | cif/ Adding structures of 7721175 via cif-deposit CGI script. |
7721175.cif |
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Users of the data should acknowledge the original authors of the
structural data.