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Information card for entry 1508383
Preview
Coordinates | 1508383.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C35 H27 Cl2 N3 S12 Zn |
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Calculated formula | C35 H27 Cl2 N3 S12 Zn |
SMILES | [Zn]12(Cl)(Cl)[n]3c(cccc3C=[N]2c2ccc(cc2)C2=CSC(S2)=C2SC(=C(S2)SC)SC)C=[N]1c1ccc(cc1)C1=CSC(S1)=C1SC(=C(S1)SC)SC |
Title of publication | Electroactive Bisiminopyridine Ligands: Synthesis and Complexation Studies |
Authors of publication | Nita, Gabriela; Branzea, Diana; Pop, Flavia; El-Ghayoury, Abdelkrim; Avarvari, Narcis |
Journal of publication | Crystals |
Year of publication | 2012 |
Journal volume | 2 |
Journal issue | 2 |
Pages of publication | 338 - 348 |
a | 11.8152 ± 0.0016 Å |
b | 10.1 ± 0.002 Å |
c | 35.579 ± 0.006 Å |
α | 90° |
β | 98.111 ± 0.013° |
γ | 90° |
Cell volume | 4203.3 ± 1.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 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 | 0.0968 |
Residual factor for significantly intense reflections | 0.0597 |
Weighted residual factors for significantly intense reflections | 0.1051 |
Weighted residual factors for all reflections included in the refinement | 0.1227 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.197 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1508383.html
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