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Information card for entry 2021451
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 2021451.cif |
---|---|
Structure factors | 2021451.hkl |
Original IUCr paper | HTML |
Chemical name | Diiodidobis(2-{(<i>E</i>)-[(2-methoxyphenyl)azaniumylidene]\ methyl}phenolato-κ<i>O</i>)cadmium(II) |
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Formula | C28 H26 Cd I2 N2 O4 |
Calculated formula | C28 H26 Cd I2 N2 O4 |
SMILES | I[Cd](I)([O]=c1ccccc1=CNc1c(OC)cccc1)[O]=c1c(=CNc2ccccc2OC)cccc1 |
Title of publication | The role of π‒π stacking and hydrogen-bonding interactions in the assembly of a series of isostructural group IIB coordination compounds |
Authors of publication | Hajiashrafi, Taraneh; Zekriazadeh, Roghayeh; Flanagan, Keith J.; Kia, Farnoush; Bauzá, Antonio; Frontera, Antonio; Senge, Mathias O. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2019 |
Journal volume | 75 |
Journal issue | 2 |
Pages of publication | 178 - 188 |
a | 9.32 ± 0.0003 Å |
b | 10.0498 ± 0.0003 Å |
c | 16.6239 ± 0.0005 Å |
α | 99.14 ± 0.001° |
β | 100.528 ± 0.001° |
γ | 109.332 ± 0.001° |
Cell volume | 1403.58 ± 0.08 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0511 |
Residual factor for significantly intense reflections | 0.0329 |
Weighted residual factors for significantly intense reflections | 0.0613 |
Weighted residual factors for all reflections included in the refinement | 0.0669 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
Diffraction radiation probe | x-ray |
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/2021451.html
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Users of the data should acknowledge the original authors of the
structural data.