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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] |
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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 |
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The link is: https://www.crystallography.net/2020074.html
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