Information card for entry 7219225

Structure parameters

• Formula: C12 H7 F2 N2 Ni O4.5
• Calculated formula: C12 H7 F2 N2 Ni O4.5
• Title of publication: Exploring 5-fluoronicotinic acid as a versatile building block for the generation of topologically diverse metal-organic and supramolecular Ni, Co, and Cd networks
• Authors of publication: Cui, Yanhui; Wu, Jiang; Kirillov, Alexander M.; Gu, Jinzhong; dou, wei
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 20.5004 ± 0.0007 Å
• b: 20.5004 ± 0.0007 Å
• c: 13.9201 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5850.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 130
• Hermann-Mauguin space group symbol: P 4/n c c :2
• Hall space group symbol: -P 4a 2ac
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.0955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No