Information card for entry 2018733

Structure parameters

• Chemical name: tris(3,5-diphenyl-1,2,4-triazolato- κ^2^<i>N</i>^1^,<i>N</i>^2^)tris(tetrahydrofuran- κ<i>O</i>)lanthanum(III)
• Formula: C54 H54 La N9 O3
• Calculated formula: C54 H54 La N9 O3
• 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: 11.531 ± 0.002 Å
• b: 18.688 ± 0.004 Å
• c: 23.827 ± 0.007 Å
• α: 90°
• β: 108.38 ± 0.03°
• γ: 90°
• Cell volume: 4873 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0288
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0618
• Weighted residual factors for all reflections included in the refinement: 0.0633
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes