Information card for entry 7219223

Structure parameters

• Formula: C24 H18 Cd F2 N10 O4
• Calculated formula: C24 H18 Cd F2 N10 O4
• SMILES: C(=O)(c1cncc(c1)F)O[Cd]12([n]3cc[nH]c3c3[n]1cc[nH]3)([n]1cc[nH]c1c1[n]2cc[nH]1)OC(=O)c1cncc(c1)F
• 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: 7.3743 ± 0.0004 Å
• b: 8.4333 ± 0.0005 Å
• c: 10.3961 ± 0.0005 Å
• α: 92.632 ± 0.002°
• β: 94.015 ± 0.002°
• γ: 94.544 ± 0.002°
• Cell volume: 642.05 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0251
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0622
• Weighted residual factors for all reflections included in the refinement: 0.0636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No