Information card for entry 2205896

Structure parameters

• Common name: Tetrakis(4-amino-3-methylpyridine)diisothiocyanatocadmium(II)
• Chemical name: Tetrakis(4-amino-3-methylpyridine)diisothiocyanatocadmium(II)
• Formula: C26 H32 Cd N10 S2
• Calculated formula: C26 H32 Cd N10 S2
• SMILES: C(=N[Cd]([n]1cc(c(cc1)N)C)([n]1cc(c(N)cc1)C)(N=C=S)([n]1cc(c(cc1)N)C)[n]1cc(c(N)cc1)C)=S
• Title of publication: Tetrakis(4-amino-3-methylpyridine)diisothiocyanatocadmium(II)
• Authors of publication: Xiao-Jun Feng; Suchada Chantrapromma; Hoong-Kun Fun; Yu-Peng Tian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: m1077 - m1079
• a: 14.4737 ± 0.0005 Å
• b: 14.6771 ± 0.0005 Å
• c: 15.1822 ± 0.0006 Å
• α: 90°
• β: 106.877 ± 0.001°
• γ: 90°
• Cell volume: 3086.28 ± 0.19 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: 0.0238
• Residual factor for significantly intense reflections: 0.0213
• Weighted residual factors for significantly intense reflections: 0.0564
• Weighted residual factors for all reflections included in the refinement: 0.0586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes