Information card for entry 7706254

Structure parameters

• Formula: C22 H24 Cl2 N2 O6
• Calculated formula: C22 H24 Cl2 N2 O6
• SMILES: ClCCl.O=N(=O)c1c(O)cc2c(c1)C(CC12CC(c2c1cc(O)c(N(=O)=O)c2)(C)C)(C)C
• Title of publication: CFA-18: a homochiral metal-organic framework (MOF) constructed from rigid enantiopure bistriazolate linker molecules.
• Authors of publication: Knippen, Katharina; Bredenkötter, Björn; Kanschat, Lisa; Kraft, Maryana; Vermeyen, Tom; Herrebout, Wouter; Sugimoto, Kunihisa; Bultinck, Patrick; Volkmer, Dirk
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 44
• Pages of publication: 15758 - 15768
• a: 10.758 ± 0.0003 Å
• b: 10.9296 ± 0.0003 Å
• c: 11.462 ± 0.0004 Å
• α: 67.799 ± 0.001°
• β: 72.26 ± 0.001°
• γ: 65.898 ± 0.001°
• Cell volume: 1120.83 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0597
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.0856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No