Information card for entry 8101724

Structure parameters

• Chemical name: aqua(2,2'-bipyridine-N,N')bis(2-fluorobenzoato)cadmium(II)
• Formula: C24 H18 Cd F2 N2 O5
• Calculated formula: C24 H18 Cd F2 N2 O5
• SMILES: [Cd]123([n]4ccccc4c4[n]1cccc4)([O]=C(O2)c1ccccc1F)([O]=C(O3)c1ccccc1F)[OH2]
• Title of publication: Crystal structure of aqua(2,2'-bipyridine-N,N')bis(2-fluorobenzoato) cadmium(II), Cd(H~2~O)(C~10~H~8~N~2~)(C~7~H~4~FO~2~)~2~
• Authors of publication: Zhang, B.-S.; Zeng, X.-R.; Fang, X.-N.; Huang, C.-F.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 2
• Pages of publication: 141 - 142
• a: 9.8316 ± 0.0002 Å
• b: 10.0682 ± 0.0002 Å
• c: 22.5002 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2227.22 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1008
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.0692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No