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Information card for entry 4511258
Preview
| Coordinates | 4511258.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C72 H60 Mn2 N8 O14 |
|---|---|
| Calculated formula | C72 H60 Mn2 N8 O14 |
| SMILES | c1ccc2c3c4c(ccc[n]4[Mn]4([n]13)([n]1cccc3c1c1[n]4cccc1cc3)([OH2])OC(=O)/C=C/c1ccc(/C=C/C(=O)O[Mn]34([n]5cccc6c5c5c(ccc[n]35)cc6)([n]3cccc5c3c3[n]4cccc3cc5)[OH2])cc1)cc2.[O-]C(=O)/C=C/c1ccc(/C=C/C(=O)[O-])cc1.O.O.O.O |
| Title of publication | Syntheses, Crystal Structures, and Magnetic Properties of Metal‒Organic Hybrid Materials of Mn(II)/Co(II): Three-Fold Interpenetrated α-Polonium-like Network in One of Them |
| Authors of publication | Mistri, Soumen; Zangrando, Ennio; Figuerola, Albert; Adhikary, Amit; Konar, Sanjit; Cano, Joan; Manna, Subal Chandra |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2014 |
| Journal volume | 14 |
| Journal issue | 7 |
| Pages of publication | 3276 |
| a | 11.0242 ± 0.0003 Å |
| b | 12.0925 ± 0.0004 Å |
| c | 13.6836 ± 0.0004 Å |
| α | 83.092 ± 0.002° |
| β | 69.498 ± 0.001° |
| γ | 68.645 ± 0.002° |
| Cell volume | 1591.25 ± 0.09 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1108 |
| Residual factor for significantly intense reflections | 0.0603 |
| Weighted residual factors for significantly intense reflections | 0.1695 |
| Weighted residual factors for all reflections included in the refinement | 0.2036 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179659 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/12. |
4511258.cif |
| 119048 | 2014-07-05 | cif/ Updating files of 4511258, 4511259, 4511260 Original log message: Adding full bibliography for 4511258--4511260.cif. |
4511258.cif |
| 115598 | 2014-06-05 | cif/ Adding structures of 4511258, 4511259, 4511260 via cif-deposit CGI script. |
4511258.cif |
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