Information card for entry 4334213

Structure parameters

• Formula: C15 H23 Ce N6 O10
• Calculated formula: C15 H19 Ce N6 O10
• Title of publication: Solid-State and Solution-State Coordination Chemistry of Lanthanide(III) Complexes with (Pyrazol-1-yl)acetic Acid
• Authors of publication: Xiao-Yan Chen; George S. Goff; Brian L. Scott; Michael T. Janicke; Wolfgang Runde
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 3217 - 3224
• a: 8.8937 ± 0.0005 Å
• b: 29.3072 ± 0.0018 Å
• c: 9.3379 ± 0.0006 Å
• α: 90°
• β: 117.433 ± 0.001°
• γ: 90°
• Cell volume: 2160.2 ± 0.2 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.0805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.376
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No