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Information card for entry 2218010
Preview
Coordinates | 2218010.cif |
---|---|
Structure factors | 2218010.hkl |
Original IUCr paper | HTML |
Common name | Chlorido{6,6'-dimethyl-2,2'-[1,2-phenylenebis(nitrilomethylidyne)]diphenolato- κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}manganese(III) monohydrate |
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Chemical name | Chlorido{6,6'-dimethyl-2,2'-[1,2-phenylenebis(nitrilomethylidyne)]diphenolato- κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}manganese(III) monohydrate |
Formula | C22 H20 Cl Mn N2 O3 |
Calculated formula | C22 H20 Cl Mn N2 O3 |
SMILES | [Mn]123(Cl)Oc4c(cccc4C=[N]2c2ccccc2[N]3=Cc2cccc(c2O1)C)C.O |
Title of publication | Chlorido{6,6'-dimethyl-2,2'-[1,2-phenylenebis(nitrilomethylidyne)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}manganese(III) monohydrate |
Authors of publication | Eltayeb, Naser Eltaher; Teoh, Siang Guan; Chantrapromma, Suchada; Fun, Hoong-Kun; Adnan, Rohana |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2008 |
Journal volume | 64 |
Journal issue | 4 |
Pages of publication | m535 - m536 |
a | 27.1836 ± 0.0006 Å |
b | 6.8033 ± 0.0001 Å |
c | 21.8896 ± 0.0004 Å |
α | 90° |
β | 108.976 ± 0.001° |
γ | 90° |
Cell volume | 3828.22 ± 0.13 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 6 |
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 | 0.0512 |
Residual factor for significantly intense reflections | 0.037 |
Weighted residual factors for significantly intense reflections | 0.0934 |
Weighted residual factors for all reflections included in the refinement | 0.1003 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
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/2218010.html
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