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Information card for entry 7705425
Preview
| Coordinates | 7705425.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C72 H112 Mg2 N8 |
|---|---|
| Calculated formula | C72 H112 Mg2 N8 |
| SMILES | [Mg]123N(c4c(cccc4C(C)C)C(C)C)C(=[N]1CC[N]1=C(N(c4c(cccc4C(C)C)C(C)C)[Mg]41[N](=C(N4c1c(cccc1C(C)C)C(C)C)C(C)(C)C)CC[N]3=C(N2c1c(cccc1C(C)C)C(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C |
| Title of publication | Magnesium bis(amidinate) and bis(guanidinate) complexes: impact of the ligand backbone and bridging groups on the coordination behaviour. |
| Authors of publication | Rösch, Andreas; Schreiner, Simon H. F.; Schüler, Philipp; Görls, Helmar; Kretschmer, Robert |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2020 |
| Journal volume | 49 |
| Journal issue | 37 |
| Pages of publication | 13072 - 13082 |
| a | 9.8996 ± 0.0002 Å |
| b | 12.4467 ± 0.0002 Å |
| c | 31.2573 ± 0.0005 Å |
| α | 93.288 ± 0.001° |
| β | 97.15 ± 0.001° |
| γ | 108.083 ± 0.002° |
| Cell volume | 3613.88 ± 0.12 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0448 |
| Residual factor for significantly intense reflections | 0.0373 |
| Weighted residual factors for significantly intense reflections | 0.0945 |
| Weighted residual factors for all reflections included in the refinement | 0.0992 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301878 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure. |
7705425.cif |
| 257500 | 2020-10-06 | cif/ Updating files of 7705422, 7705423, 7705424, 7705425, 7705426, 7705427, 7705428 Original log message: Adding full bibliography for 7705422--7705428.cif. |
7705425.cif |
| 256419 | 2020-09-15 | cif/ Adding structures of 7705422, 7705423, 7705424, 7705425, 7705426, 7705427, 7705428 via cif-deposit CGI script. |
7705425.cif |
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