Information card for entry 4513690

Structure parameters

• Formula: C16 H10 Cd1.5 N2 O9
• Calculated formula: C16 H10 Cd1.5 N2 O9
• Title of publication: A Series of Homochiral Helical Metal‒Organic Frameworks Based on Proline Derivatives
• Authors of publication: Xu, Zhong-Xuan; Ma, Yu-Lu; Xiao, Yu; Zhang, Lei; Zhang, Jian
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 12
• Pages of publication: 5901
• a: 22.8156 ± 0.0011 Å
• b: 6.9955 ± 0.0004 Å
• c: 14.4043 ± 0.0007 Å
• α: 90°
• β: 106.694 ± 0.005°
• γ: 90°
• Cell volume: 2202.1 ± 0.2 ų
• Cell temperature: 100.12 ± 0.1 K
• Ambient diffraction temperature: 100.12 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1141
• Weighted residual factors for all reflections included in the refinement: 0.1185
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No