Information card for entry 4301555

Structure parameters

• Formula: C52 H68 La2 N2 O
• Calculated formula: C52 H68 La2 N2 O
• SMILES: [La]12345678([O]9CCCC9)([c]9([c]1([c]2([c]3([cH]49)C)C)C)C)([c]1([c]5([c]6([c]7([cH]81)C)C)C)C)N1c(cccc2)c2N(c2c1cccc2)[La]12345678([c]9([c]1([c]2([c]3([cH]49)C)C)C)C)[c]1([c]5([c]6([c]7([cH]81)C)C)C)C
• Title of publication: Investigating Metal Size Effects in the Ln2(μ-η2:η2-N2) Reduction System: Reductive Reactivity with Complexes of the Largest and Smallest Trivalent Lanthanide Ions, La3+ and Lu3+
• Authors of publication: William J. Evans; Sara E. Lorenz; Joseph W. Ziller
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 2001 - 2009
• a: 9.8474 ± 0.0011 Å
• b: 20.507 ± 0.002 Å
• c: 23.444 ± 0.003 Å
• α: 90°
• β: 92.835 ± 0.002°
• γ: 90°
• Cell volume: 4728.5 ± 0.9 ų
• Cell temperature: 158 ± 2 K
• Ambient diffraction temperature: 158 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0808
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0678
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No