Information card for entry 7212187

Structure parameters

• Formula: C3 H9 N O6 P2 Pb
• Calculated formula: C3 H9 N O6 P2 Pb
• Title of publication: Novel double-chained or double-layered metal diphosphonates: synergic coordination effect of two closely linked phosphonate moieties promoted by large metal ionic radius
• Authors of publication: Du, Zi-Yi; Sun, Yu-Hui; Zhang, Xiu-Zhi; Luo, Shu-Fen; Xie, Yong-Rong; Wan, Dong-Bei
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 6
• Pages of publication: 1774
• a: 6.8238 ± 0.0008 Å
• b: 6.9867 ± 0.0008 Å
• c: 8.9138 ± 0.0009 Å
• α: 82.198 ± 0.007°
• β: 81.8 ± 0.007°
• γ: 81.286 ± 0.008°
• Cell volume: 412.93 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0281
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0562
• Weighted residual factors for all reflections included in the refinement: 0.0578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No