Information card for entry 4503092

Structure parameters

• Formula: C50 H54 Cd N6 S2
• Calculated formula: C50 H54 Cd N6 S2
• Title of publication: Three-Dimensional Metal−Organic Network Architecture with Large π-Conjugated Indolocarbazole Derivative: Synthesis, Supramolecular Structure, and Highly Enhanced Fluorescence
• Authors of publication: Liu, Hui-Jun; Tao, Xu-Tang; Yang, Jia-Xiang; Yan, Yun-Xing; Ren, Yan; Zhao, Hua-Ping; Xin, Qian; Yu, Wen-Tao; Jiang, Min-Hua
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 1
• Pages of publication: 259
• a: 11.4021 ± 0.0002 Å
• b: 32.4814 ± 0.0006 Å
• c: 26.1045 ± 0.0006 Å
• α: 90°
• β: 91.164 ± 0.001°
• γ: 90°
• Cell volume: 9666 ± 0.3 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: 0.2051
• Residual factor for significantly intense reflections: 0.0971
• Weighted residual factors for significantly intense reflections: 0.2735
• Weighted residual factors for all reflections included in the refinement: 0.3395
• Goodness-of-fit parameter for all reflections included in the refinement: 0.934
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No