Information card for entry 4507117

Structure parameters

• Formula: C68 H80 Cd1.5 N4 O16
• Calculated formula: C68 H80 Cd1.5 N4 O16
• Title of publication: Crystal Structure Diversities Based on 4,4′-(2,3,6,7-Tetramethoxyanthracene-9,10-diyl)dibenzoic Acid: From 2D Layer to 3D Net Framework
• Authors of publication: Zhang, Liangliang; Liu, Fuling; Guo, Yu; Wang, Xingpo; Guo, Jie; Wei, Yanhui; Chen, Zhen; Sun, Daofeng
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 12
• Pages of publication: 6215
• a: 15.489 ± 0.002 Å
• b: 16.205 ± 0.002 Å
• c: 16.439 ± 0.002 Å
• α: 72.801 ± 0.002°
• β: 70.522 ± 0.002°
• γ: 68.048 ± 0.002°
• Cell volume: 3538.3 ± 0.8 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0682
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.161
• Weighted residual factors for all reflections included in the refinement: 0.177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No