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Information card for entry 2234280
Preview
Coordinates | 2234280.cif |
---|---|
Structure factors | 2234280.hkl |
Original IUCr paper | HTML |
Chemical name | <i>catena</i>-Poly[[[aquamanganese(III)]-μ-(<i>E</i>)-5-bromo- <i>N</i>-[2-(5-bromo-2-oxidobenzylideneamino)-4-nitrophenyl]- 2-oxidobenzamidato] <i>N</i>,<i>N</i>-dimethylfomamide monosolvate] |
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Formula | C23 H19 Br2 Mn N4 O7 |
Calculated formula | C23 H19 Br2 Mn N4 O7 |
SMILES | [Mn]123(Oc4ccc(Br)cc4C=[N]2c2cc(N(=O)=O)ccc2N3C(=O)c2cc(Br)ccc2O1)([OH2])[O]=C1c2cc(Br)ccc2O[Mn]23(N1c1c([N]3=Cc3c(O2)ccc(Br)c3)cc(N(=O)=O)cc1)[OH2].O=CN(C)C.O=CN(C)C |
Title of publication | <i>catena</i>-Poly[[[aquamanganese(III)]-μ-(<i>E</i>)-5-bromo-<i>N</i>-[2-(5-bromo-2-oxidobenzylideneamino)-4-nitrophenyl]-2-oxidobenzamidato] <i>N</i>,<i>N</i>-dimethylfomamide monosolvate] |
Authors of publication | Farag, Abeer Mohamed; Guan, Teoh Siang; Osman, Hasnah; Hemamalini, Madhukar; Fun, Hoong-Kun |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2012 |
Journal volume | 68 |
Journal issue | 4 |
Pages of publication | m365 - m366 |
a | 11.0746 ± 0.0006 Å |
b | 24.9781 ± 0.0013 Å |
c | 9.5563 ± 0.0005 Å |
α | 90° |
β | 114.658 ± 0.001° |
γ | 90° |
Cell volume | 2402.4 ± 0.2 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0476 |
Residual factor for significantly intense reflections | 0.0337 |
Weighted residual factors for significantly intense reflections | 0.0801 |
Weighted residual factors for all reflections included in the refinement | 0.0853 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2234280.html
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