Information card for entry 4503897

Structure parameters

• Formula: C56 H56 Cd3 N12 O16 S2
• Calculated formula: C56 H56 Cd3 N12 O16 S2
• Title of publication: Syntheses, Structures, and Photoluminescent and Magnetic Studies of Metal−Organic Frameworks Assembled with 5-Sulfosalicylic Acid and 1,4-Bis(imidazol-1-ylmethyl)-benzene
• Authors of publication: Lu, Zhenda; Wen, Lili; Ni, Zhaoping; Li, Yizhi; Zhu, Huizhen; Meng, Qingjin
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 2
• Pages of publication: 268
• a: 13.435 ± 0.003 Å
• b: 16 ± 0.004 Å
• c: 14.127 ± 0.003 Å
• α: 90°
• β: 95.479 ± 0.004°
• γ: 90°
• Cell volume: 3022.9 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No