Information card for entry 7037402

Structure parameters

• Formula: C49 H48 Cd2 N8 O12
• Calculated formula: C49 H44 Cd2 N8 O12
• Title of publication: Hydrothermal synthesis and structural characterization of metal-organic frameworks based on new tetradentate ligands.
• Authors of publication: Liang, Yue; Yuan, Wei-Guan; Zhang, Shu-Fang; He, Zhan; Xue, Junru; Zhang, Xia; Jing, Lin-Hai; Qin, Da-Bin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 4
• Pages of publication: 1382 - 1390
• a: 17.811 ± 0.008 Å
• b: 19.155 ± 0.008 Å
• c: 14.683 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5009 ± 4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0551
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1213
• Weighted residual factors for all reflections included in the refinement: 0.1301
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No