Information card for entry 2208330

Structure parameters

• Chemical name: catena-Poly[[diaquabarium(II)]-di-μ-2-formylbenzoato]
• Formula: C16 H14 Ba O8
• Calculated formula: C16 H14 Ba O8
• SMILES: C(c1ccccc1C=O)(=O)[O-].O.[Ba+2].C(=O)(c1ccccc1C=O)[O-].O
• Title of publication: <i>catena</i>-Poly[[diaquabarium(II)]-di-μ-2-formylbenzoato]
• Authors of publication: Odabaşoǧlu, Mustafa; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: m402 - m404
• a: 18.4346 ± 0.0012 Å
• b: 11.6009 ± 0.0007 Å
• c: 8.3914 ± 0.0005 Å
• α: 90°
• β: 95.364 ± 0.005°
• γ: 90°
• Cell volume: 1786.71 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0248
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.0605
• Weighted residual factors for all reflections included in the refinement: 0.061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes