Information card for entry 2201596

Structure parameters

• Chemical name: Tetrabutylammonium tetrakis(nitrato-κ^2^O,O')[1,3,5-tris(pyrazolyl)methane-κ^3^N]cerate(III)
• Formula: C26 H46 Ce N11 O12
• Calculated formula: C26 H46 Ce N11 O12
• SMILES: [Ce]123456(ON(=[O]1)=O)(ON(=[O]2)=O)(ON(=[O]3)=O)(ON(=[O]4)=O)[n]1ccc[n]1C([n]2ccc[n]25)[n]2ccc[n]26.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: Tetrabutylammonium tetrakis(nitrato-κ^2^<i>O,O</i>')[1,3,5-tris(pyrazolyl)methane-κ^3^<i>N</i>]cerate(III)
• Authors of publication: Chen, Shu-Jian; Li, Yi-Zhi; Chen, Xue-Tai; Shi, Yu-Jun; You, Xiao-Zeng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 12
• Pages of publication: m753 - m755
• a: 12.484 ± 0.001 Å
• b: 16.742 ± 0.001 Å
• c: 18.267 ± 0.001 Å
• α: 90°
• β: 102.82 ± 0.01°
• γ: 90°
• Cell volume: 3722.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0653
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes