Information card for entry 2243316

Structure parameters

• Chemical name: <i>catena</i>-Poly[[diaquabis(6-fluoropyridine-3-carboxylato-κ<i>O</i>)nickel(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] trihydrate]
• Formula: C22 H24 F2 N4 Ni O9
• Calculated formula: C22 H24 F2 N4 Ni O9
• SMILES: [Ni]([n]1ccc(cc1)c1cc[n]([Ni]([OH2])(OC(=O)c2cnc(F)cc2)([OH2])OC(=O)c2cnc(F)cc2)cc1)([OH2])(OC(=O)c1cnc(F)cc1)([n]1ccc(cc1)c1ccncc1)([OH2])OC(=O)c1cnc(F)cc1.O.O.O.O.O.O
• Title of publication: The first coordination compound of 6-fluoronicotinate: the crystal structure of a one-dimensional nickel(II) coordination polymer containing the mixed ligands 6-fluoronicotinate and 4,4'-bipyridine
• Authors of publication: Politeo, Nives; Pisačić, Mateja; Daković, Marijana; Sokol, Vesna; Kukovec, Boris-Marko
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 4
• Pages of publication: 500 - 505
• a: 12.1175 ± 0.0005 Å
• b: 18.7705 ± 0.0006 Å
• c: 12.3246 ± 0.0004 Å
• α: 90°
• β: 110.232 ± 0.004°
• γ: 90°
• Cell volume: 2630.29 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0702
• Weighted residual factors for all reflections included in the refinement: 0.0733
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes