Information card for entry 7017915

Structure parameters

• Formula: C66 H58 Cd2 F24 N10 P4 S2
• Calculated formula: C66 H58 Cd2 F24 N10 P4 S2
• SMILES: c1ccc2c3c4c(cc2)ccc[n]4[Cd]24([n]13)([n]1cccc3c1c1[n]2cccc1cc3)[S](c1ccc([N+](C)(C)C)cc1)[Cd]12([n]3cccc5c3c3c(cc5)ccc[n]13)([n]1cccc3c1c1[n]2cccc1cc3)[S]4c1ccc([N+](C)(C)C)cc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[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: 12.491 ± 0.003 Å
• b: 12.561 ± 0.003 Å
• c: 12.765 ± 0.003 Å
• α: 105.68 ± 0.03°
• β: 98.99 ± 0.03°
• γ: 101.47 ± 0.03°
• Cell volume: 1842.4 ± 0.9 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0827
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1635
• Weighted residual factors for all reflections included in the refinement: 0.1771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No