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Information card for entry 8101914
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Coordinates | 8101914.cif |
---|
Chemical name | methanol-[N,N'-o-phenylenebis(salicylaldiminato-N,N',O,O')](salicylaldehydato- O)manganese(III) |
---|---|
Formula | C28 H23 Mn N2 O5 |
Calculated formula | C28 H23 Mn N2 O5 |
SMILES | [Mn]123([N](=Cc4c(O2)cccc4)c2ccccc2[N]1=Cc1ccccc1O3)(Oc1ccccc1C=O)[OH]C |
Title of publication | Crystal structure of methanol[N,N'-o-phenylenebis(salicyl-aldiminato- N,N',O,O')](salicylaldehydato-O)manganese(III), Mn(CH~3~OH)(C~6~H~4~OCHO) [C~6~H~4~(C~6~H~4~OCHN)~2~]~2~ |
Authors of publication | Wang, C.; Hou, Y.-Q.; Li, J.; Zhang, F.-X. |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2006 |
Journal volume | 221 |
Journal issue | 1 |
Pages of publication | 51 - 52 |
a | 10.3207 ± 0.0012 Å |
b | 13.5029 ± 0.0017 Å |
c | 17.39 ± 0.002 Å |
α | 90° |
β | 93.95 ± 0.002° |
γ | 90° |
Cell volume | 2417.7 ± 0.5 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0623 |
Residual factor for significantly intense reflections | 0.0383 |
Weighted residual factors for significantly intense reflections | 0.0956 |
Weighted residual factors for all reflections included in the refinement | 0.103 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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