Information card for entry 2228957

Structure parameters

• Chemical name: <i>catena</i>-Poly[[{bis[tetraaqua(2-hydroxy-3,4-dioxocyclobut-1-en- 1-olato-κ<i>O</i>^1^)bariumstrontium(0.35/0.65)]di-μ-aqua}bis(μ-2- hydroxy-4-oxocyclobut-1-ene-1,3-diolato-κ^2^<i>O</i>^1^:<i>O</i>^3^)] monohydrate]
• Formula: C16 H26 Ba0.71 O27 Sr1.29
• Calculated formula: C16 H26 Ba0.706 O27 Sr1.294
• Title of publication: <i>catena</i>-Poly[[{bis[tetraaqua(2-hydroxy-3,4-dioxocyclobut-1-en-1-olato-κ<i>O</i>^1^)bariumstrontium(0.35/0.65)]di-μ-aqua}bis(μ-2-hydroxy-4-oxocyclobut-1-ene-1,3-diolato-κ^2^<i>O</i>^1^:<i>O</i>^3^)] monohydrate]
• Authors of publication: Trifa, Chahrazed; Bouhali, Amira; Bouacida, Sofiane; Boudaren, Chaouki; Bataille, Thierry
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: m275 - m276
• a: 25.3592 ± 0.0009 Å
• b: 8.8993 ± 0.0003 Å
• c: 14.1286 ± 0.0005 Å
• α: 90°
• β: 119.974 ± 0.002°
• γ: 90°
• Cell volume: 2762.07 ± 0.18 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• 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: 0.0421
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes