Information card for entry 7230687

Structure parameters

• Formula: C34 H18 Cd2 N6 O11
• Calculated formula: C34 H18 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: 16.83 ± 0.003 Å
• b: 18.059 ± 0.004 Å
• c: 15.756 ± 0.003 Å
• α: 90°
• β: 98.82 ± 0.03°
• γ: 90°
• Cell volume: 4732.1 ± 1.7 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: 0.1771
• Residual factor for significantly intense reflections: 0.091
• Weighted residual factors for significantly intense reflections: 0.1858
• Weighted residual factors for all reflections included in the refinement: 0.2218
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No