Information card for entry 7230689

Structure parameters

• Formula: C42 H28 Cd2 N6 O11
• Calculated formula: C42 H28 Cd2 N6 O11
• Title of publication: Supramolecular recognition of benzene homologues in a 2D coordination polymer through variable inter-layer π‒π interaction
• Authors of publication: Gu, Yun-Feng; Liu, Xiao-Ting; Zhang, Ying; Zhang, Shu-Ming; Chang, Ze; Bu, Xian-He
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 24
• Pages of publication: 3313
• a: 17.1153 ± 0.0001 Å
• b: 18.127 ± 0.0001 Å
• c: 15.6893 ± 0.0001 Å
• α: 90°
• β: 94.978 ± 0.001°
• γ: 90°
• Cell volume: 4849.23 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0308
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0633
• Weighted residual factors for all reflections included in the refinement: 0.0642
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No