Information card for entry 7220625

Structure parameters

• Formula: C92 H84 N16 O13 Zn2
• Calculated formula: C92 H84 N16 O14 Zn2
• Title of publication: Syntheses, characterization and properties of nine novel Zn(ii) coordination polymers based on 4,4′-(phenylazanediyl)dibenzoic acid and various N-donor ligands
• Authors of publication: Zhao, Lun; Guo, Huadong; Tang, Dong; Zhang, Min
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 29
• Pages of publication: 5451
• a: 10.6126 ± 0.0014 Å
• b: 13.057 ± 0.0016 Å
• c: 18.873 ± 0.002 Å
• α: 77.782 ± 0.002°
• β: 81.567 ± 0.002°
• γ: 73.826 ± 0.002°
• Cell volume: 2444.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.137
• Residual factor for significantly intense reflections: 0.0766
• Weighted residual factors for significantly intense reflections: 0.2134
• Weighted residual factors for all reflections included in the refinement: 0.2394
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No