Information card for entry 7207985

Structure parameters

• Formula: C16 H12 N16 O6 Pb4
• Calculated formula: C16 H12 N16 O6 Pb4
• SMILES: c1(c2ccc(c3[n-]nnn3)cc2)[n-]nnn1.c1(c2ccc(c3[n-]nnn3)cc2)[n-]nnn1.[OH]12[Pb]3[OH]4[Pb]5[OH]([Pb]14)[Pb]2[OH]35.O.O
• Title of publication: Two novel lead(ii)-tetrazolate frameworks based on cubane [Pb4(OH)4]4+ clusters trapping long lifetime luminescence emission
• Authors of publication: Sun, Jiayin; Zhang, Daojun; Wang, Li; Cao, Yu; Li, Da; Zhang, Liying; Song, Wei; Fan, Yong; Xu, Jianing
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 11
• Pages of publication: 3982
• a: 13.4523 ± 0.001 Å
• b: 13.4523 ± 0.001 Å
• c: 14.525 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2628.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 135
• Hermann-Mauguin space group symbol: P 42/m b c
• Hall space group symbol: -P 4c 2ab
• Residual factor for all reflections: 0.0927
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.1338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No