Information card for entry 7036713

Structure parameters

• Formula: C15 H10 Cd3 N6 O14
• Calculated formula: C15 H10 Cd3 N6 O14
• Title of publication: Structures and multiple properties of two polar metal-organic frameworks based on achiral N,O-coordinated ligands: toward multifunctional materials.
• Authors of publication: Liu, Guang-Ning; Zhang, Ming-Jian; Liu, Wan-Qing; Sun, Hui; Li, Xin-Yu; Li, Ke; Ren, Cai-Ze; Zhang, Zhen-Wei; Li, Cuncheng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 43
• Pages of publication: 18882 - 18892
• a: 8.8438 ± 0.0007 Å
• b: 12.7821 ± 0.0009 Å
• c: 12.2085 ± 0.0008 Å
• α: 90°
• β: 100.063 ± 0.007°
• γ: 90°
• Cell volume: 1358.85 ± 0.17 ų
• Cell temperature: 77 ± 2 K
• Ambient diffraction temperature: 77 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0382
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No