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Information card for entry 7117048
Preview
| Coordinates | 7117048.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C19 H18 Mn N9 S5 |
|---|---|
| Calculated formula | C19 H18 Mn N9 S5 |
| SMILES | c1cccc[nH+]1.c1c[nH+]cc[nH+]1.C(=N[Mn](N=C=S)(N=C=S)(N=C=S)N=C=S)=S.c1cccc[nH+]1 |
| Title of publication | Ground to conduct: mechanochemical synthesis of a metal-organic framework with high proton conductivity |
| Authors of publication | Dariusz Matoga; Marcin Oszajca; Marcin Molenda |
| Journal of publication | Chem.Commun. |
| Year of publication | 2015 |
| Journal volume | 51 |
| Pages of publication | 7637 |
| a | 11.928 ± 0.005 Å |
| b | 13.662 ± 0.005 Å |
| c | 17.417 ± 0.005 Å |
| α | 90 ± 0.005° |
| β | 105.321 ± 0.005° |
| γ | 90 ± 0.005° |
| Cell volume | 2737.4 ± 1.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.047 |
| Residual factor for significantly intense reflections | 0.0408 |
| Weighted residual factors for significantly intense reflections | 0.1106 |
| Weighted residual factors for all reflections included in the refinement | 0.1157 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301857 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
7117048.cif |
| 180284 | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/70. |
7117048.cif |
| 135341 | 2015-04-23 | cif/ Adding structures of 7117048, 7117049 via cif-deposit CGI script. |
7117048.cif |
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Users of the data should acknowledge the original authors of the
structural data.