Information card for entry 8103310

Structure parameters

• Common name: not measured
• Chemical name: aqua-(5-(4-carboxybenzyloxy)isophthalato)Barium(II)
• Formula: C16 H10 Ba O8
• Calculated formula: C16 H10 Ba O8
• Title of publication: Crystal structure of aqua(5-(4-carboxybenzyloxy)isophthalato)barium(II), Ba(H2O)(C16H10O7)
• Authors of publication: Jing Li; Jian-Fang Ma
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2012
• Journal volume: 227
• Journal issue: 2
• Pages of publication: 277
• a: 6.056 ± 0.005 Å
• b: 8.123 ± 0.005 Å
• c: 30.747 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1512.5 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0292
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0575
• Weighted residual factors for all reflections included in the refinement: 0.0581
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No