Information card for entry 4117325

Structure parameters

• Formula: C14 H16 O4 Pb S4
• Calculated formula: C14 H16 O4 Pb S4
• 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: 13.829 ± 0.003 Å
• b: 15.179 ± 0.004 Å
• c: 8.489 ± 0.002 Å
• α: 90°
• β: 90.322 ± 0.004°
• γ: 90°
• Cell volume: 1781.9 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.047
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No