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Information card for entry 4121556
Preview
| Coordinates | 4121556.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C100 H104 Mn2 N2 Si2 |
|---|---|
| Calculated formula | C100 H104 Mn2 N2 Si2 |
| SMILES | c1(c(cc(cc1C(c1ccccc1)c1ccccc1)C)C(c1ccccc1)c1ccccc1)N([Mn][Mn]N(c1c(cc(cc1C(c1ccccc1)c1ccccc1)C)C(c1ccccc1)c1ccccc1)[Si](C)(C)C)[Si](C)(C)C.c1(ccccc1)C.c1(ccccc1)C.c1(ccccc1)C.c1(ccccc1)C |
| Title of publication | A two-coordinate manganese(0) complex with an unsupported mn-mg bond: allowing access to low coordinate homo- and heterobimetallic compounds. |
| Authors of publication | Hicks, Jamie; Hoyer, Chad E.; Moubaraki, Boujemaa; Manni, Giovanni Li; Carter, Emma; Murphy, Damien M.; Murray, Keith S.; Gagliardi, Laura; Jones, Cameron |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2014 |
| Journal volume | 136 |
| Journal issue | 14 |
| Pages of publication | 5283 - 5286 |
| a | 15.7018 ± 0.0006 Å |
| b | 10.377 ± 0.0003 Å |
| c | 26.7505 ± 0.0009 Å |
| α | 90° |
| β | 106.562 ± 0.003° |
| γ | 90° |
| Cell volume | 4177.8 ± 0.3 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 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 | 0.0545 |
| Residual factor for significantly intense reflections | 0.043 |
| Weighted residual factors for significantly intense reflections | 0.1101 |
| Weighted residual factors for all reflections included in the refinement | 0.1183 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301834 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
4121556.cif |
| 179017 | 2016-03-22 | cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/15. |
4121556.cif |
| 110338 | 2014-04-18 | cif/ Updating files of 4121549, 4121550, 4121551, 4121552, 4121553, 4121554, 4121555, 4121556 Original log message: Adding full bibliography for 4121549--4121556.cif. |
4121556.cif |
| 108561 | 2014-04-02 | cif/ Adding structures of 4121556 via cif-deposit CGI script. |
4121556.cif |
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