Information card for entry 4350525

Structure parameters

• Formula: C27 H38 Er2 N5 O21.5
• Calculated formula: C27 H21 Er2 N5 O14
• 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: 8.438 ± 0.003 Å
• b: 27.795 ± 0.01 Å
• c: 15.934 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3737 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No