Information card for entry 7052253

Structure parameters

• Formula: C60 H48 La2 N18
• Calculated formula: C60 H48 La2 N18
• SMILES: [La]12345678([N](c9[n]1cccc9)(c1[n]9cccc1)[La]19%10%11%12([N]3(c3[n]4cccc3)c3[n]1cccc3)([N]5(c1[n]6cccc1)c1[n]%10cccc1)([N]7(c1[n]8cccc1)c1[n]%11cccc1)N(c1[n]%12cccc1)c1ncccc1)N(c1[n]2cccc1)c1ncccc1
• Title of publication: A rare earth alloy as a synthetic reagent: contrasting homometallic rare earth and heterobimetallic outcomes
• Authors of publication: Deacon, Glen B.; Forsyth, Craig M.; Junk, Peter C.; Leary, Stuart G.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2006
• Journal volume: 30
• Journal issue: 4
• Pages of publication: 592
• a: 16.6833 ± 0.0002 Å
• b: 16.9265 ± 0.0002 Å
• c: 20.0193 ± 0.0002 Å
• α: 90°
• β: 106.219 ± 0.001°
• γ: 90°
• Cell volume: 5428.25 ± 0.11 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0597
• Weighted residual factors for all reflections included in the refinement: 0.0665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No