Information card for entry 7215240

Structure parameters

• Formula: C48.5 H39.5 Ag3 Cl1.5 N6
• Calculated formula: C48.5 H39.5 Ag3 Cl1.5 N6
• SMILES: [Ag]1n2[n]([Ag][n]3n(c(c(c3c3ccccc3)C)c3ccccc3)[Ag][n]3n1c(c(c3c1ccccc1)C)c1ccccc1)c(c1ccccc1)c(c2c1ccccc1)C.ClC(Cl)Cl
• Title of publication: Halogen-involving weak interactions manifested in the crystal structures of silver(i) or gold(i) 4-halogenated-3,5-diphenylpyrazolato trimers
• Authors of publication: Chen, Jing-Huo; Liu, Ya-Mei; Zhang, Jin-Xue; Zhu, Yan-Yan; Tang, Ming-Sheng; Ng, Seik Weng; Yang, Guang
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 23
• Pages of publication: 4987
• a: 14.6187 ± 0.0003 Å
• b: 16.8833 ± 0.0005 Å
• c: 18.7304 ± 0.0005 Å
• α: 109.403 ± 0.003°
• β: 97.433 ± 0.002°
• γ: 92.184 ± 0.002°
• Cell volume: 4307.4 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.0975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No