Information card for entry 4320648

Structure parameters

• Formula: C33 H51 La
• Calculated formula: C33 H51 La
• SMILES: [La]123456789%10%11%12([c]%13([c]1([c]2([c]3([c]4%13CC)C)C)C)C)([c]1([c]5([c]6([c]7([c]81CC)C)C)C)C)[c]1([c]%12([c]%11([c]%10([c]91C)C)C)CC)C
• Title of publication: Synthesis and Structure of Tris(alkyl- and silyl-tetramethylcyclopentadienyl) Complexes of Lanthanum
• Authors of publication: William J. Evans; Benjamin L. Davis; Joseph W. Ziller
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 6341 - 6348
• a: 10.0459 ± 0.0005 Å
• b: 10.0786 ± 0.0005 Å
• c: 16.1832 ± 0.0008 Å
• α: 90.355 ± 0.001°
• β: 90.108 ± 0.001°
• γ: 118.805 ± 0.001°
• Cell volume: 1435.73 ± 0.12 ų
• Cell temperature: 158 ± 2 K
• Ambient diffraction temperature: 158 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0324
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.233
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No