Information card for entry 2018416

Structure parameters

• Chemical name: Poly[[diaquabis(μ~2~-crotonato-κ^3^<i>O</i>:<i>O</i>,<i>O</i>')(crotonato- κ^2^<i>O</i>,<i>O</i>')lanthanum(III)] adenine monosolvate monohydrate]
• Formula: C17 H26 La N5 O9
• Calculated formula: C17 H26 La N5 O9
• Title of publication: Poly[[diaquabis(μ~2~-crotonato-κ^3^<i>O</i>:<i>O</i>,<i>O</i>')(crotonato-κ^2^<i>O</i>,<i>O</i>')lanthanum(III)] adenine monosolvate monohydrate]
• Authors of publication: Atria, Ana María; Garland, Maria Teresa; Baggio, Ricardo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: m53 - m56
• a: 8.9484 ± 0.0011 Å
• b: 11.4743 ± 0.0014 Å
• c: 12.3985 ± 0.0015 Å
• α: 68.978 ± 0.002°
• β: 84.418 ± 0.002°
• γ: 78.501 ± 0.002°
• Cell volume: 1164 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0215
• Residual factor for significantly intense reflections: 0.0211
• Weighted residual factors for significantly intense reflections: 0.0563
• Weighted residual factors for all reflections included in the refinement: 0.0567
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No