Information card for entry 7107127

Structure parameters

• Formula: C24 H14 Cd2 N6 O12
• Calculated formula: C24 H14 Cd2 N6 O12
• 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: 20.993 ± 0.004 Å
• b: 14.236 ± 0.003 Å
• c: 7.4471 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2225.6 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 55
• Hermann-Mauguin space group symbol: P b a m
• Hall space group symbol: -P 2 2ab
• Residual factor for all reflections: 0.0983
• Residual factor for significantly intense reflections: 0.0801
• Weighted residual factors for significantly intense reflections: 0.1951
• Weighted residual factors for all reflections included in the refinement: 0.2027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No