Information card for entry 7017914

Structure parameters

• Formula: C58 H58 Cd2 F24 N10 P4 S2
• Calculated formula: C58 H58 Cd2 F24 N10 P4 S2
• SMILES: [P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[n]12ccccc1c1[n](cccc1)[Cd]132([n]2ccccc2c2cccc[n]12)[S](c1ccc([N+](C)(C)C)cc1)[Cd]12([n]4ccccc4c4cccc[n]14)([n]1ccccc1c1[n]2cccc1)[S]3c1ccc([N+](C)(C)C)cc1.[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: 10.798 ± 0.002 Å
• b: 12.628 ± 0.003 Å
• c: 13.622 ± 0.003 Å
• α: 103.52 ± 0.03°
• β: 98.1 ± 0.03°
• γ: 106.14 ± 0.03°
• Cell volume: 1692.1 ± 0.8 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: 0.0642
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1251
• Weighted residual factors for all reflections included in the refinement: 0.1324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No