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Information card for entry 2020074
Preview
| Coordinates | 2020074.cif |
|---|---|
| Structure factors | 2020074.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[(dimethylformamide-κ<i>O</i>)[μ~3~-5-(1,3-dioxo-4,5,6,7-tetraphenylisoindolin-2-yl)isophthalato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^:<i>O</i>^3'^](methanol-κ<i>O</i>)manganese(III)] dimethylformamide monosolvate] |
|---|---|
| Formula | C47 H41 Mn N3 O9 |
| Calculated formula | C47 H41 Mn N3 O9 |
| SMILES | [Mn]123([O]=C(c4cc(cc(c4)C(=O)[O-])N4C(=O)c5c(c(c(c(c5c5ccccc5)c5ccccc5)c5ccccc5)c5ccccc5)C4=O)O[Mn]([OH]C)([O]=C(c4cc(cc(c4)C4=[O][Mn]5([OH]C)(O4)([O]=C(c4cc(cc(c4)C(=[O]2)O3)N2C(=O)c3c(c(c(c(c3c3ccccc3)c3ccccc3)c3ccccc3)c3ccccc3)C2=O)O[Mn]([OH]C)([O]=CN(C)C)[O]=C(c2cc(cc(c2)C(=O)[O-])N2C(=O)c3c(c(c(c(c3c3ccccc3)c3ccccc3)c3ccccc3)c3ccccc3)C2=O)O5)[O]=CN(C)C)N2C(=O)c3c(c(c(c(c3c3ccccc3)c3ccccc3)c3ccccc3)c3ccccc3)C2=O)O1)[O]=CN(C)C)([O]=CN(C)C)[OH]C.CN(C)C=O.CN(C)C=O.CN(C)C=O.CN(C)C=O |
| Title of publication | A new one-dimensional coordination polymer of 5-(1,3-dioxo-4,5,6,7-tetraphenylisoindolin-2-yl)isophthalic acid with manganese |
| Authors of publication | Wang, Jing; Jia, Chunmei; Feng, Xiao; Yuan, Wenbing |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 9 |
| a | 10.3336 ± 0.0004 Å |
| b | 14.3984 ± 0.001 Å |
| c | 15.2649 ± 0.0008 Å |
| α | 90.673 ± 0.005° |
| β | 98.12 ± 0.004° |
| γ | 110.761 ± 0.005° |
| Cell volume | 2097.8 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0762 |
| Residual factor for significantly intense reflections | 0.0463 |
| Weighted residual factors for significantly intense reflections | 0.0921 |
| Weighted residual factors for all reflections included in the refinement | 0.1058 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181870 (current) | 2016-04-06 | hkl/2/02/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/02/00 |
2020074.cif 2020074.hkl |
| 153017 | 2015-08-07 | cif/ hkl/ Adding structures of 2020074 via cif-deposit CGI script. |
2020074.cif 2020074.hkl |
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Users of the data should acknowledge the original authors of the
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