Information card for entry 4502932

Structure parameters

• Formula: C24 H18 Ag3 Cl3 N12 O12 S3
• Calculated formula: C24 H18 Ag3 Cl3 N12 O12 S3
• Title of publication: Conformation Restriction of Nonplanar Di-2-pyrimidyl Sulfide with Intramolecular N···C Interaction and Its Supramolecular Silver(I) Complexes
• Authors of publication: Wan, Chong-Qing; Wang, Zi-Jia; Wang, Guo; Liu, Hao; Deng, Yu-Heng; Jin, Qiong-Hua
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 1
• Pages of publication: 376
• a: 11.9403 ± 0.0004 Å
• b: 12.0036 ± 0.0003 Å
• c: 15.6419 ± 0.0004 Å
• α: 69.201 ± 0.002°
• β: 70.396 ± 0.002°
• γ: 79.961 ± 0.002°
• Cell volume: 1970.44 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1138
• Residual factor for significantly intense reflections: 0.0882
• Weighted residual factors for significantly intense reflections: 0.2015
• Weighted residual factors for all reflections included in the refinement: 0.2137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No