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Information card for entry 2020115
Preview
Coordinates | 2020115.cif |
---|---|
Structure factors | 2020115.hkl |
Original IUCr paper | HTML |
Chemical name | Tetrakis[6-methyl-2-({[(pyridin-2-yl)methyl]imino}methyl)phenolato-1:2κ^8^<i>N</i>,<i>N</i>',<i>O</i>:<i>O</i>;3:2κ^8^<i>N</i>,<i>N</i>',<i>O</i>:<i>O</i>]trizinc(II) hexafluoridophosphate methanol monosolvate |
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Formula | C57 H56 F12 N8 O5 P2 Zn3 |
Calculated formula | C57 H56 F12 N8 O5 P2 Zn3 |
SMILES | [Zn]12345[n]6ccccc6C[N]1=Cc1c(c(ccc1)C)[O]2[Zn]1([O]5c2c(C=[N]4Cc4[n]3cccc4)cccc2C)[O]2[Zn]345([n]6ccccc6C[N]3=Cc3c2c(ccc3)C)[n]2ccccc2C[N]5=Cc2c(c(ccc2)C)[O]14.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].OC |
Title of publication | Photoluminescence properties of a cationic trinuclear zinc(II) complex with the tetradentate Schiff base ligand 6-methyl-2-({[(pyridin-2-yl)methyl]imino}methyl)phenolate |
Authors of publication | Kim, Young-Inn; Song, Young-Kwang; Kim, Daeyoung; Kang, Sung Kwon |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2015 |
Journal volume | 71 |
Journal issue | 10 |
a | 14.46 ± 0.003 Å |
b | 21.116 ± 0.004 Å |
c | 19.607 ± 0.004 Å |
α | 90° |
β | 94 ± 0.03° |
γ | 90° |
Cell volume | 5972 ± 2 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 7 |
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 | 0.1872 |
Residual factor for significantly intense reflections | 0.0709 |
Weighted residual factors for significantly intense reflections | 0.1629 |
Weighted residual factors for all reflections included in the refinement | 0.2137 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
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/2020115.html
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