Information card for entry 2233119

Structure parameters

• Chemical name: Aqua(3-fluorobenzoato-κ<i>O</i>)(3-fluorobenzoato- κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II)
• Formula: C26 H18 Co F2 N2 O5
• Calculated formula: C26 H18 Co F2 N2 O5
• SMILES: [Co]12([OH2])(OC(=O)c3cc(F)ccc3)([O]=C(O1)c1cc(F)ccc1)[n]1c3c(ccc4c3[n]2ccc4)ccc1
• Title of publication: Aqua(3-fluorobenzoato-κ<i>O</i>)(3-fluorobenzoato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II)
• Authors of publication: Wang, Xiao-Hui; Sun, Li-Mei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: m16
• a: 8.6517 ± 0.0007 Å
• b: 12.1233 ± 0.001 Å
• c: 12.6752 ± 0.001 Å
• α: 64.045 ± 0.001°
• β: 88.879 ± 0.001°
• γ: 72.892 ± 0.001°
• Cell volume: 1133.22 ± 0.16 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.052
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes