Information card for entry 4502916

Structure parameters

• Formula: C42 H36 Ag2 Cl2 N12 O8 S0
• Calculated formula: C42 H36 Ag2 Cl2 N12 O8
• SMILES: c1c(cccc1C#N)[NH2][Ag]1([NH2]c2cc(ccc2)C#N)[NH2]c2cc(ccc2)C#[N][Ag]([NH2]c2cc(ccc2)C#N)([NH2]c2cc(ccc2)C#N)[NH2]c2cc(ccc2)C#[N]1.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: Anion-Controlled Assembly of Silver(I)/Aminobenzonitrile Compounds: Syntheses, Crystal Structures, and Photoluminescence Properties
• Authors of publication: Liu, Fu-Jing; Sun, Di; Hao, Hong-Jun; Huang, Rong-Bin; Zheng, Lan-Sun
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 1
• Pages of publication: 354
• a: 11.632 ± 0.002 Å
• b: 7.5766 ± 0.0015 Å
• c: 25.228 ± 0.005 Å
• α: 90°
• β: 97.1 ± 0.03°
• γ: 90°
• Cell volume: 2206.3 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No