Information card for entry 7222364

Structure parameters

• Formula: C12 H22 N10 O7 Pb
• Calculated formula: C12 H22 N10 O7 Pb
• SMILES: [Pb]([n]1ccc(c2[n-]nnn2)cc1)([n]1ccc(c2n[n-]nn2)cc1)([OH2])([OH2])[OH2].O.O.O.O
• Title of publication: Substituted group directed assembly of energetic lead(II) compounds based on structure-relevant ligands
• Authors of publication: Yang, Gao-Wen; Zhang, Fei Fei; Wu, Qi; Cao, Meng Jie; Bai, Yu; Li, Qiao-Yun; Wei, Bo; Zou, Jian Hua
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 8.125 ± 0.0016 Å
• b: 10.772 ± 0.002 Å
• c: 12.866 ± 0.003 Å
• α: 70.45 ± 0.03°
• β: 76.89 ± 0.03°
• γ: 89.02 ± 0.03°
• Cell volume: 1031.4 ± 0.4 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 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: 0.0451
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 0.786
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No