Information card for entry 4313393

Structure parameters

• Formula: C12 H12 O6 P2 Pb
• Calculated formula: C12 H12 O6 P2 Pb
• SMILES: [Pb+2].[O-]P(=O)(c1ccccc1)O.[O-]P(=O)(c1ccccc1)O
• Title of publication: Structural Diversity and Polytypism of Lead Phenylphosphonates: BING-6 and BING-9
• Authors of publication: Dat T. Tran; Yi-Sheng Kam; Peter Y. Zavalij; Scott R. J. Oliver
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 2165 - 2172
• a: 31.681 ± 0.006 Å
• b: 5.5639 ± 0.0011 Å
• c: 8.2515 ± 0.0016 Å
• α: 90°
• β: 101.814 ± 0.004°
• γ: 90°
• Cell volume: 1423.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0705
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.0922
• Goodness-of-fit parameter for all reflections included in the refinement: 0.903
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No