Information card for entry 7213609

Structure parameters

• Formula: C47 H32 Cd N4 O5
• Calculated formula: C47 H32 Cd N4 O5
• Title of publication: Two pairs of isomorphism and two 3D metal‒organic frameworks based on a star-like ligand tri(4-pyridylphenyl)amine
• Authors of publication: Meng, Fandian; Qin, Ling; Zhang, Mingdao; Zheng, Hegen
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 4
• Pages of publication: 698
• a: 11.9824 ± 0.0013 Å
• b: 32.547 ± 0.004 Å
• c: 10.7535 ± 0.0012 Å
• α: 90°
• β: 98.598 ± 0.002°
• γ: 90°
• Cell volume: 4146.6 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0736
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1736
• Weighted residual factors for all reflections included in the refinement: 0.1797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No