Information card for entry 4350522

Structure parameters

• Formula: C21 H11.8 N3 O13.4 Y2
• Calculated formula: C21 H9 N3 O12 Y2
• Title of publication: Triggered ligand release coupled to framework rearrangement: generating crystalline porous coordination materials.
• Authors of publication: Jia, Junhua; Lin, Xiang; Blake, Alexander J.; Champness, Neil R.; Hubberstey, Peter; Shao, Limin; Walker, Gavin; Wilson, Claire; Schröder, Martin
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 22
• Pages of publication: 8838 - 8840
• a: 16.239 ± 0.011 Å
• b: 16.239 ± 0.011 Å
• c: 7.458 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1703 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 185
• Hermann-Mauguin space group symbol: P 63 c m
• Hall space group symbol: P 6c -2
• Residual factor for all reflections: 0.106
• Residual factor for significantly intense reflections: 0.0783
• Weighted residual factors for significantly intense reflections: 0.223
• Weighted residual factors for all reflections included in the refinement: 0.233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No