Information card for entry 7224385

Structure parameters

• Formula: C54 H68.4 Br10 Cd N9 O0.7
• Calculated formula: C54 H67 Br10 Cd N9 O0.7
• Title of publication: Crystal engineering of a hybrid metal‒organic host framework and its single-crystal-to-single-crystal guest exchange using second sphere coordination
• Authors of publication: Li, Lei; Tong, Jian; Guo, Fang; Martí-Rujas, Javier
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 13
• Pages of publication: 2284
• a: 9.585 ± 0.0019 Å
• b: 24.232 ± 0.005 Å
• c: 14.047 ± 0.003 Å
• α: 90°
• β: 94.31 ± 0.03°
• γ: 90°
• Cell volume: 3253.4 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0828
• Residual factor for significantly intense reflections: 0.0773
• Weighted residual factors for significantly intense reflections: 0.2281
• Weighted residual factors for all reflections included in the refinement: 0.2343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No