Information card for entry 8102575

Structure parameters

• Chemical name: diaquabis(2-fluorobenzoato-κO,)bis (1,10-phenanthroline-κ^2^N,N')barium(II),[Ba(C~7~H~4~FO~2~)~2~ (C~12~H~8~N~2~)~2~(H~2~O)~2~]
• Formula: C38 H28 Ba F2 N4 O6
• Calculated formula: C38 H28 Ba F2 N4 O6
• Title of publication: Crystal structure of diaquabis(2-fluorobenzoato-kO)-bis(1,10-phenanthroline-k2N,N')barium(II), Ba(H2O)2(C7H4FO2)2(C12H8N2)2
• Authors of publication: Bi-Song Zhang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 1
• Pages of publication: 87
• a: 23.483 ± 0.005 Å
• b: 10.522 ± 0.002 Å
• c: 13.767 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3401.7 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.085
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1416
• Weighted residual factors for all reflections included in the refinement: 0.1543
• Goodness-of-fit parameter for all reflections included in the refinement: 1.189
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No