Information card for entry 7219224

Structure parameters

• Formula: C12 H14 Co F2 N2 O8
• Calculated formula: C12 H14 Co F2 N2 O8
• SMILES: c1(c[n](cc(c1)F)[Co]([OH2])([n]1cc(C(=O)[O-])cc(c1)F)([OH2])([OH2])[OH2])C(=O)[O-]
• 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: 8.4112 ± 0.0005 Å
• b: 6.8339 ± 0.0005 Å
• c: 13.2136 ± 0.0008 Å
• α: 90°
• β: 96.514 ± 0.006°
• γ: 90°
• Cell volume: 754.63 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: I 1 2/m 1
• Hall space group symbol: -I 2y
• Residual factor for all reflections: 0.0424
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.1009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No