Information card for entry 7124833

Structure parameters

• Formula: C13 H12 Cd N2 O2
• Calculated formula: C13 H12 Cd N2 O2
• Title of publication: A metal-organic framework with rod secondary building unit based on the Boerdijk-Coxeter helix.
• Authors of publication: Xiao, Qiong; Wu, Yuan; Li, Mian; O'Keeffe, Michael; Li, Dan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 77
• Pages of publication: 11543 - 11546
• a: 24.6108 ± 0.0003 Å
• b: 24.6108 ± 0.0003 Å
• c: 10.76785 ± 0.00017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6521.99 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0289
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.0589
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No