Information card for entry 7107123

Structure parameters

• Formula: C33.5 H41.5 Cd2 N8.5 O16.5
• Calculated formula: C33.5 H41.5 Cd2 N8.5 O16.5
• Title of publication: Layer-by-layer evolution and a hysteretic single-crystal to single-crystal transformation cycle of a flexible pillared-layer open framework
• Authors of publication: Xiao-Feng Wang; Yu Wang; Yue-Biao Zhang; Wei Xue; Jie-Peng Zhang; Xiao-Ming Chen
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 133
• a: 17.3378 ± 0.0003 Å
• b: 14.2386 ± 0.0002 Å
• c: 20.9358 ± 0.0006 Å
• α: 90°
• β: 121.841 ± 0.002°
• γ: 90°
• Cell volume: 4390.58 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0825
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1777
• Weighted residual factors for all reflections included in the refinement: 0.1911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No