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Information card for entry 7117646
Preview
| Coordinates | 7117646.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C76 H180 K2 Mn2 O18 Si12 |
|---|---|
| Calculated formula | C76 H180 K2 Mn2 O18 Si12 |
| Title of publication | Salts of the two-coordinate homoleptic manganese(I) dialkyl anion [Mn{C(SiMe3)3}2]^-^ with quenched orbital magnetism |
| Authors of publication | C.-Y. Lin; J. C. Fettinger; N. F. Chilton; A. Formanuik; F. Grandjean; G. J. Long; P. P. Power |
| Journal of publication | Chem.Commun. |
| Year of publication | 2015 |
| Journal volume | 51 |
| Pages of publication | 13275 |
| a | 12.5416 ± 0.0007 Å |
| b | 16.0775 ± 0.0009 Å |
| c | 27.2358 ± 0.0015 Å |
| α | 87.785 ± 0.001° |
| β | 85.0576 ± 0.001° |
| γ | 79.8209 ± 0.001° |
| Cell volume | 5383.7 ± 0.5 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1033 |
| Residual factor for significantly intense reflections | 0.0546 |
| Weighted residual factors for significantly intense reflections | 0.111 |
| Weighted residual factors for all reflections included in the refinement | 0.128 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 153729 (current) | 2015-08-27 | cif/ Adding structures of 7117646, 7117647 via cif-deposit CGI script. |
7117646.cif |
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Users of the data should acknowledge the original authors of the
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