Information card for entry 1563849

Structure parameters

• Formula: C32 H28 Cd F2 I2 N6 S2
• Calculated formula: C32 H28 Cd F2 I2 N6 S2
• SMILES: I[Cd](I)([S]=C(N)N1N=C(C[C@H]1c1ccc(F)cc1)c1ccccc1)[S]=C(N)N1N=C(C[C@H]1c1ccc(F)cc1)c1ccccc1.I[Cd](I)([S]=C(N)N1N=C(C[C@@H]1c1ccc(F)cc1)c1ccccc1)[S]=C(N1N=C(C[C@@H]1c1ccc(F)cc1)c1ccccc1)N
• Title of publication: Synthesis, crystalline structures and photophysical properties of new cadmium iodide complexes with thiocarbamoyl-pyrazoline ligands
• Authors of publication: Rosa, Persiely P.; Laranjeira, Guilherme B.; Favarin, Lis R.V.; Pizzuti, Lucas; Júnior, Amilcar M.; Pinto, L.M.C.; Gatto, Claudia C.; Caires, Anderson R.L.; Oliveira, Carolina G.; Deflon, Victor M.; Casagrande, Gleison Antônio
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2018
• Journal volume: 483
• Pages of publication: 293 - 298
• a: 10.9634 ± 0.0005 Å
• b: 17.2987 ± 0.0007 Å
• c: 20.465 ± 0.0008 Å
• α: 69.448 ± 0.002°
• β: 82.838 ± 0.002°
• γ: 81.129 ± 0.003°
• Cell volume: 3580.3 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0939
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1442
• Weighted residual factors for all reflections included in the refinement: 0.1702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No