Information card for entry 7709691

Structure parameters

• Formula: Cl H6 N15 O9 Pb4
• Calculated formula: Cl H6 N15 O9 Pb4
• SMILES: [Pb]12([OH]3[Pb]4[OH]2[Pb]2[OH]1[Pb]3[OH]42)[OH2].[n-]1nnnn1.[n-]1nnnn1.[n-]1nnnn1.Cl(=O)(=O)(=O)[O-]
• Title of publication: Pentazolate coordination polymers self-assembled by in situ generated [Pb4(OH)4]4+ cubic cations trapping cyclo-N5−
• Authors of publication: Yuan, Yuan; Xu, Yuangang; Xie, Qiang; Li, Dongxue; Lin, Qiuhan; Wang, Pengcheng; Lu, Ming
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 10.1088 ± 0.0008 Å
• b: 13.552 ± 0.0011 Å
• c: 13.4401 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1841.2 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0322
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.053
• Weighted residual factors for all reflections included in the refinement: 0.0544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No