Information card for entry 2233392

Structure parameters

• Chemical name: Bis{2-[(2,4-dimethylphenyl)iminomethyl]pyridine- κ^2^<i>N</i>,<i>N</i>'}bis(thiocyanato-κ<i>N</i>)cadmium
• Formula: C30 H28 Cd N6 S2
• Calculated formula: C30 H28 Cd N6 S2
• SMILES: c1(c(cc(cc1)C)C)[N]1=Cc2[n]([Cd]31([n]1c(cccc1)C=[N]3c1c(cc(cc1)C)C)(N=C=S)N=C=S)cccc2
• Title of publication: Bis{2-[(2,4-dimethylphenyl)iminomethyl]pyridine-κ^2^<i>N</i>,<i>N</i>'}bis(thiocyanato-κ<i>N</i>)cadmium
• Authors of publication: Malekshahian, Mohammad; Talei Bavil Olyai, Mohamad Reza; Notash, Behrouz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: m218 - m219
• a: 11.285 ± 0.002 Å
• b: 15.048 ± 0.003 Å
• c: 17.576 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2984.7 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.049
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0688
• Weighted residual factors for all reflections included in the refinement: 0.0751
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes