Information card for entry 7215238

Structure parameters

• Formula: C52 H35 Ag3 Cl3 N7
• Calculated formula: C52 H35 Ag3 Cl3 N7
• SMILES: [Ag]1n2[n]([Ag]n3[n]([Ag]n4[n]1c(c(Cl)c4c1ccccc1)c1ccccc1)c(c(Cl)c3c1ccccc1)c1ccccc1)c(c(Cl)c2c1ccccc1)c1ccccc1.C(#N)c1ccccc1
• 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: 9.681 ± 0.002 Å
• b: 20.34 ± 0.005 Å
• c: 23.673 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4661.5 ± 1.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0807
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.0679
• Weighted residual factors for all reflections included in the refinement: 0.0731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No