Information card for entry 4132610

Structure parameters

• Formula: C72 H60 Ag2 N6 P4
• Calculated formula: C72 H60 Ag2 N6 P4
• SMILES: c1ccccc1[P]([Ag]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)N=N#[N][Ag](N=N#[N]1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis and Characterization of cyclo-Pentazolate Salts of NH₄⁺, NH₃OH⁺, N₂H₅⁺, C(NH₂)₃⁺, and N(CH₃)₄<sup/>.
• Authors of publication: Yang, Chen; Zhang, Chong; Zheng, Zhansheng; Jiang, Chao; Luo, Jun; Du, Yang; Hu, Bingcheng; Sun, Chengguo; Christe, Karl O.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 48
• Pages of publication: 16488 - 16494
• a: 9.9399 ± 0.0006 Å
• b: 13.1293 ± 0.0007 Å
• c: 13.1412 ± 0.0007 Å
• α: 114.292 ± 0.002°
• β: 101.059 ± 0.002°
• γ: 90.719 ± 0.002°
• Cell volume: 1526.07 ± 0.15 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0613
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No