Information card for entry 7216077

Structure parameters

• Formula: C20 H22 Cd N2 O8
• Calculated formula: C20 H14 Cd N2 O6.5
• Title of publication: Exploring the synthesis of infinite helical chains with 2-carboxycinnamic acid
• Authors of publication: Li, F.; Ma, Z.; Wang, Y.-L.; Cao, R.; Bi, W.-H.; Li, X.
• Journal of publication: CrystEngComm
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 92
• Pages of publication: 569
• a: 25.995 ± 0.005 Å
• b: 11.6819 ± 0.0013 Å
• c: 16.66 ± 0.003 Å
• α: 90°
• β: 125.584 ± 0.006°
• γ: 90°
• Cell volume: 4114.4 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0766
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.1666
• Weighted residual factors for all reflections included in the refinement: 0.1721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No