Information card for entry 7703663

Structure parameters

• Formula: C6 H4 Cd N6 O8 Pb2
• Calculated formula: C6 H4 Cd N6 O8 Pb2
• Title of publication: "Old dog, new tricks": the lone pair effect inducing divergent optical responses in lead cyanurates containing π-bonds.
• Authors of publication: Meng, Xianghe; Kang, Kaijin; Liang, Fei; Tang, Jian; Lin, Zheshuai; Yin, Wenlong; Xia, Mingjun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 5
• Pages of publication: 1370 - 1374
• a: 15.9504 ± 0.0012 Å
• b: 7.0252 ± 0.0004 Å
• c: 12.0267 ± 0.0008 Å
• α: 90°
• β: 118.914 ± 0.007°
• γ: 90°
• Cell volume: 1179.66 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0197
• Residual factor for significantly intense reflections: 0.0181
• Weighted residual factors for significantly intense reflections: 0.0448
• Weighted residual factors for all reflections included in the refinement: 0.0455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No