Information card for entry 7053085

Structure parameters

• Formula: C104.9 H160.8 Cl5.8 N19 O20 P2 S2
• Calculated formula: C104 H148 Cl4 N19 O20 P2 S2
• Title of publication: Anion binding of tris-(thio)urea ligands
• Authors of publication: Zhang, Yanlei; Zhang, Rui; Zhao, Yanxia; Ji, Liguo; Jia, Chuandong; Wu, Biao
• Journal of publication: New Journal of Chemistry
• Year of publication: 2013
• Journal volume: 37
• Journal issue: 8
• Pages of publication: 2266
• a: 17.251 ± 0.003 Å
• b: 12.4954 ± 0.0019 Å
• c: 28.007 ± 0.004 Å
• α: 90°
• β: 97.612 ± 0.003°
• γ: 90°
• Cell volume: 5983.9 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1157
• Residual factor for significantly intense reflections: 0.0845
• Weighted residual factors for significantly intense reflections: 0.2508
• Weighted residual factors for all reflections included in the refinement: 0.2771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No