Information card for entry 4117326

Structure parameters

• Formula: C14 H16 O6 Pb S2
• Calculated formula: C14 H16 O6 Pb S2
• Title of publication: White Light Emission and Second Harmonic Generation from Secondary Group Participation (SGP) in a Coordination Network
• Authors of publication: Jun He; Matthias Zeller; Allen D. Hunter; Zhengtao Xu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 1553 - 1559
• a: 9.4828 ± 0.0011 Å
• b: 16.6237 ± 0.0019 Å
• c: 10.352 ± 0.0012 Å
• α: 90°
• β: 101.619 ± 0.002°
• γ: 90°
• Cell volume: 1598.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0383
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0512
• Weighted residual factors for all reflections included in the refinement: 0.0545
• Goodness-of-fit parameter for all reflections included in the refinement: 0.874
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No