Information card for entry 1508383

Structure parameters

• Formula: C35 H27 Cl2 N3 S12 Zn
• 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 ų
• 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