Information card for entry 7017917

Structure parameters

• Formula: C29 H35 Cd F12 N7 P2 S2
• Calculated formula: C29 H35 Cd F12 N7 P2 S2
• SMILES: c1(ccc(cc1)[N+](C)(C)C)S[Cd]12([n]3c(c4[n]1c(c1[n]2[nH]cc1)ccc4)cc[nH]3)Sc1ccc(cc1)[N+](C)(C)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• 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: 35.725 ± 0.007 Å
• b: 10.164 ± 0.002 Å
• c: 10.385 ± 0.002 Å
• α: 90°
• β: 105.67 ± 0.03°
• γ: 90°
• Cell volume: 3630.7 ± 1.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• 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: 0.0768
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1498
• Weighted residual factors for all reflections included in the refinement: 0.1596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No