Information card for entry 2235675

Structure parameters

• Chemical name: Bis[benzyl 3-(3-phenylprop-2-enylidene)dithiocarbazato- κ^2^<i>N</i>^3^,<i>S</i>]cadmium
• Formula: C34 H30 Cd N4 S4
• Calculated formula: C34 H30 Cd N4 S4
• SMILES: [Cd]12([N](N=C(S1)SCc1ccccc1)=C/C=C/c1ccccc1)[N](=C/C=C/c1ccccc1)N=C(S2)SCc1ccccc1
• Title of publication: Bis[benzyl 3-(3-phenylprop-2-enylidene)dithiocarbazato-κ^2^<i>N</i>^3^,<i>S</i>]cadmium
• Authors of publication: Reza, M. S.; Islam, M. A. A. A. A.; Tarafder, M. T. H.; Sheikh, M. C.; Zangrando, E.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: m976 - m977
• a: 36.2497 ± 0.0007 Å
• b: 9.994 ± 0.0002 Å
• c: 8.9392 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3238.49 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0474
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1117
• Weighted residual factors for all reflections included in the refinement: 0.1149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes