Information card for entry 7017918

Structure parameters

• Formula: C102 H140 Cd4 F48 N18 O P8 S8
• Calculated formula: C102 H138 Cd4 F48 N18 O P8 S8
• Title of publication: Reactions of cadmium(II) nitrate with 4-(trimethylammonio)benzenethiolate in the presence of N-donor ligands.
• Authors of publication: Zheng, Ai-Xia; Wang, Hui-Fang; Lü, Chun-Ning; Ren, Zhi-Gang; Li, Hong-Xi; Lang, Jian-Ping
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 2
• Pages of publication: 558 - 566
• a: 13.331 ± 0.003 Å
• b: 16.928 ± 0.003 Å
• c: 18.448 ± 0.004 Å
• α: 112.86 ± 0.03°
• β: 97.28 ± 0.03°
• γ: 97.77 ± 0.03°
• Cell volume: 3726.9 ± 1.7 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1279
• Residual factor for significantly intense reflections: 0.1005
• Weighted residual factors for significantly intense reflections: 0.2799
• Weighted residual factors for all reflections included in the refinement: 0.3121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No