Information card for entry 7211097

Structure parameters

• Formula: C51 H42 N10 O6 Zn2
• Calculated formula: C51 H36 N10 O6 Zn2
• Title of publication: Multi-functional d10 metal‒organic materials based on bis-pyrazole/pyridine ligands supported by a 2,6-di(3-pyrazolyl)pyridine with different spanning flexible dicarboxylate ligands: synthesis, structure, photoluminescent and catalytic properties
• Authors of publication: Zhang, Xiaoxi; Xing, Na; Bai, Fengying; Wan, Lijuan; Shan, Hui; Hou, Yanan; Xing, Yongheng; Shi, Zhan
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 44
• Pages of publication: 9135
• a: 10.9728 ± 0.0019 Å
• b: 12.61 ± 0.002 Å
• c: 16.807 ± 0.003 Å
• α: 77.404 ± 0.002°
• β: 79.051 ± 0.002°
• γ: 89.147 ± 0.002°
• Cell volume: 2227.4 ± 0.7 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: 0.0574
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No