Information card for entry 4072051

Structure parameters

• Formula: C34 H42 La N
• Calculated formula: C34 H42 La N
• SMILES: [La]123456789%10([n]%11ccccc%11)([c]%11([c]4([c]3([c]2([c]1%11C)C)C)C)C)([c]1([c]5([c]6([c]7([c]81C)C)C)C)C)C[CH]9=[CH]%10c1ccccc1
• Title of publication: Synthesis, Structure, and Reactivity of Rare-Earth Metallocene η3-Propargyl/Allenyl Complexes
• Authors of publication: Quiroga Norambuena, Victor F.; Heeres, André; Heeres, Hero J.; Meetsma, Auke; Teuben, Jan H.; Hessen, Bart
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 21
• Pages of publication: 5672
• a: 8.7176 ± 0.0004 Å
• b: 9.651 ± 0.0004 Å
• c: 18.4634 ± 0.0009 Å
• α: 78.405 ± 0.001°
• β: 87.337 ± 0.001°
• γ: 72.103 ± 0.001°
• Cell volume: 1447.86 ± 0.11 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0377
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0642
• Weighted residual factors for all reflections included in the refinement: 0.0666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No