Information card for entry 7213607

Structure parameters

• Formula: C37 H28 N4 O4 Zn
• Calculated formula: C37 H28 N4 O4 Zn
• 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: 12.0822 ± 0.0008 Å
• b: 23.676 ± 0.0016 Å
• c: 29.4806 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8433.2 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0961
• Residual factor for significantly intense reflections: 0.0707
• Weighted residual factors for significantly intense reflections: 0.1843
• Weighted residual factors for all reflections included in the refinement: 0.1966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No