Information card for entry 4331314

Structure parameters

• Formula: C8 H20 N O12 Pr
• Calculated formula: C8 H14 N O12 Pr
• Title of publication: Solid-State and Solution-State Coordination Chemistry of Lanthanide(III) Complexes with α-Hydroxyisobutyric Acid
• Authors of publication: Xiao-Yan Chen; George S. Goff; William C. Ewing; Brian L. Scott; Wolfgang Runde
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 13254 - 13263
• a: 8.9898 ± 0.0007 Å
• b: 8.6316 ± 0.0007 Å
• c: 20.9864 ± 0.0016 Å
• α: 90°
• β: 93.11 ± 0.001°
• γ: 90°
• Cell volume: 1626.1 ± 0.2 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 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: 0.0202
• Residual factor for significantly intense reflections: 0.0197
• Weighted residual factors for significantly intense reflections: 0.0567
• Weighted residual factors for all reflections included in the refinement: 0.0569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.269
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No