Information card for entry 7042948

Structure parameters

• Formula: C48 H42 Cl2 K N3 O12 Pb2
• Calculated formula: C48 H42 Cl2 K N3 O12 Pb2
• Title of publication: Two bilayer metal−organic frameworks with rare trinuclear heterometal clusters and tunable photoluminescence
• Authors of publication: Gong, Yun-Nan; Wei, Xue-Wen; He, Lv-Heng; Wen, Ya-Qiong; Ren, Ya-Wen; Xie, Yong-Rong; Zhong, Di-Chang
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 9.9175 ± 0.0005 Å
• b: 10.0625 ± 0.0004 Å
• c: 13.4072 ± 0.0007 Å
• α: 107.383 ± 0.002°
• β: 108.957 ± 0.002°
• γ: 91.213 ± 0.003°
• Cell volume: 1197.2 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0464
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No