Information card for entry 2243602

Structure parameters

• Common name: calcium strontium isobutyrate pentahydrate
• Chemical name: <i>catena</i>-Poly[[μ-aqua-diaqua(μ~3~-2-methylpropanoato-\ κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')(calcium/strontium)] 2-methylpropanoate dihydrate]
• Formula: C8 H24 Ca0.794 O9 Sr0.206
• Calculated formula: C8 H24 Ca0.7936 O9 Sr0.2064
• Title of publication: Crystal structures of <i>catena</i>-poly[[μ-aqua-diaqua(μ~3~-2-methylpropanoato-κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')calcium] 2-methylpropanoate dihydrate], <i>catena</i>-poly[[μ-aqua-diaqua(μ~3~-2-methylpropanoato-κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')strontium] 2-methylpropanoate dihydrate] and <i>catena</i>-poly[[μ-aqua-diaqua(μ~3~-2-methylpropanoato-κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')(calcium/strontium)] 2-methylpropanoate dihydrate]
• Authors of publication: Samolová, Erika; Fábry, Jan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 10
• Pages of publication: 1684 - 1688
• a: 6.7153 ± 0.0003 Å
• b: 19.6061 ± 0.001 Å
• c: 23.3498 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3074.3 ± 0.3 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0373
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.0615
• Goodness-of-fit parameter for significantly intense reflections: 1.68
• Goodness-of-fit parameter for all reflections included in the refinement: 1.54
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes