Information card for entry 2203951

Structure parameters

• Chemical name: trans-Bis(isothiocynato-κN)tetrapyridinecadmium(II)
• Formula: C22 H20 Cd N6 S2
• Calculated formula: C22 H20 Cd N6 S2
• SMILES: c1cccc[n]1[Cd](N=C=S)([n]1ccccc1)([n]1ccccc1)(N=C=S)[n]1ccccc1
• Title of publication: <i>trans</i>-Bis(isothiocyanato-κ<i>N</i>)tetrapyridinecadmium(II)
• Authors of publication: Qu Yang; Zhao-Di Liu; Hai-Liang Zhu; Tan, Min-Yu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 7
• Pages of publication: m1013 - m1014
• a: 12.58 ± 0.003 Å
• b: 13.247 ± 0.003 Å
• c: 15.216 ± 0.003 Å
• α: 90°
• β: 107.48 ± 0.03°
• γ: 90°
• Cell volume: 2418.6 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0413
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes