Information card for entry 2233277

Structure parameters

• Chemical name: <i>catena</i>-Poly[[(diaquacalcium)-bis(μ-2-fluorobenzoato)-\ 1':1κ^3^<i>O</i>:<i>O</i>,<i>O</i>';1:1''κ^3^<i>O</i>,<i>O</i>':<i>O</i>] 2,2'-bipyridine hemisolvate]
• Formula: C19 H16 Ca F2 N O6
• Calculated formula: C19 H16 Ca F2 N O6
• Title of publication: <i>catena</i>-Poly[[(diaquacalcium)-bis(μ-2-fluorobenzoato)-1':1κ^3^<i>O</i>:<i>O</i>,<i>O</i>';1:1''κ^3^<i>O</i>,<i>O</i>':<i>O</i>] 2,2'-bipyridine hemisolvate]
• Authors of publication: Zhang, Bi-Song; Lin, Jian-Li; Jin, Xiu-Fang; Huang, Rong; Luo, Ling-Ling
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: m55 - m56
• a: 7.9063 ± 0.0016 Å
• b: 10.212 ± 0.002 Å
• c: 12.147 ± 0.002 Å
• α: 94.68 ± 0.03°
• β: 104.33 ± 0.03°
• γ: 92.98 ± 0.03°
• Cell volume: 944.4 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.1053
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1412
• Weighted residual factors for all reflections included in the refinement: 0.214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes