Information card for entry 7709688

Structure parameters

• Formula: H4 N20 O4 Pb4
• Calculated formula: H4 N20 O4 Pb4
• SMILES: [Pb]123[OH]4[Pb]5([OH]6[Pb]4([OH]1[Pb]6[OH]25)n1nnnn1)n1[n]3nnn1.[n-]1nnnn1.[n-]1nnnn1
• 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: 7.6556 ± 0.001 Å
• b: 13.6507 ± 0.0017 Å
• c: 8.5962 ± 0.0011 Å
• α: 90°
• β: 106.44 ± 0.004°
• γ: 90°
• Cell volume: 861.61 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0334
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0659
• Weighted residual factors for all reflections included in the refinement: 0.0672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No