Information card for entry 4512537

Structure parameters

• Formula: C36 H25 Co N6 O8.5
• Calculated formula: C36 H24 Co N6 O8.5
• Title of publication: Histidine-Controlled Homochiral and Ferroelectric Metal‒Organic Frameworks
• Authors of publication: Yu, Lei; Hua, Xiu-Ni; Jiang, Xi-Jie; Qin, Lan; Yan, Xiao-Zhi; Luo, Lai-Hui; Han, Lei
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 2
• Pages of publication: 687
• a: 8.026 ± 0.004 Å
• b: 15.446 ± 0.007 Å
• c: 14.588 ± 0.007 Å
• α: 90°
• β: 103.873 ± 0.008°
• γ: 90°
• Cell volume: 1755.7 ± 1.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0928
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.1723
• Weighted residual factors for all reflections included in the refinement: 0.1902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No