Information card for entry 2229785

Structure parameters

• Chemical name: <i>catena</i>-Poly[[{<i>N</i>,<i>N</i>-dimethyl-<i>N</i>'-[1-(pyridin-2- yl)ethylidene]ethane-1,2-diamine- κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}(thiocyanato-κ<i>N</i>)cadmium(II)]- μ-thiocyanato-κ^2^<i>S</i>:<i>N</i>]
• Formula: C13 H17 Cd N5 S2
• Calculated formula: C13 H17 Cd N5 S2
• SMILES: [Cd]12(SC#N)([n]3ccccc3C(=[N]1CC[N]2(C)C)C)(N=C=S)[N]#CS[Cd]12([n]3ccccc3C(=[N]1CC[N]2(C)C)C)N=C=S
• Title of publication: <i>catena</i>-Poly[[{<i>N</i>,<i>N</i>-dimethyl-<i>N</i>'-[1-(pyridin-2-yl)ethylidene]ethane-1,2-diamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}(thiocyanato-κ<i>N</i>)cadmium]-μ-thiocyanato-κ^2^<i>S</i>:<i>N</i>]
• Authors of publication: Suleiman Gwaram, Nura; Khaledi, Hamid; Mohd Ali, Hapipah
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: m480
• a: 14.602 ± 0.002 Å
• b: 9.5827 ± 0.0014 Å
• c: 12.8714 ± 0.0019 Å
• α: 90°
• β: 107.483 ± 0.002°
• γ: 90°
• Cell volume: 1717.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0285
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0519
• Weighted residual factors for all reflections included in the refinement: 0.0561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes