Information card for entry 2018732

Structure parameters

• Chemical name: tris(3,5-diphenylpyrazolato-κ^2^<i>N</i>,<i>N</i>')tris(tetrahydrofuran- κ<i>O</i>)lanthanum(III) tetrahydrofuran monosolvate
• Formula: C61 H65 La N6 O4
• Calculated formula: C61 H65 La N6 O4
• Title of publication: Two lanthanum(III) complexes containing η^2^-pyrazolate and η^2^-1,2,4-triazolate ligands: intramolecular C—H···N/O interactions and coordination geometries
• Authors of publication: Wang, Yu-Long; Feng, Meng; Tao, Xian; Tang, Qing-Yun; Shen, Ying-Zhong
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 1
• Pages of publication: 25 - 28
• a: 14.146 ± 0.003 Å
• b: 16.358 ± 0.003 Å
• c: 22.856 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5288.9 ± 1.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0309
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.053
• Weighted residual factors for all reflections included in the refinement: 0.0539
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes