Information card for entry 1515495

Structure parameters

• Formula: C38 H56 Lu2 N2
• Calculated formula: C38 H56 Lu2 N2
• SMILES: [Lu]123456789([N]%10[Lu]%11%12%13%14%15%16%17%18([N]1=%10)([cH]1[c]%14([c]%13([c]%12([c]%111C)C)C)C)[c]1([c]%18([c]%17([c]%16([c]%151C)C)C)C)C)([cH]1[c]2([c]3([c]4([c]51C)C)C)C)[c]1([c]6([c]7([c]8([c]91C)C)C)C)C
• Title of publication: (C5Me4H)1−-based reduction of dinitrogen by the mixed ligand tris(polyalkylcyclopentadienyl) lutetium and yttrium complexes, (C5Me5)3−x(C5Me4H)xLn
• Authors of publication: Mueller, Thomas J.; Fieser, Megan E.; Ziller, Joseph W.; Evans, William J.
• Journal of publication: Chemical Science
• Year of publication: 2011
• Journal volume: 2
• Journal issue: 10
• Pages of publication: 1992
• a: 21.9504 ± 0.0013 Å
• b: 8.4448 ± 0.0005 Å
• c: 18.7468 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3475 ± 0.4 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0173
• Residual factor for significantly intense reflections: 0.0167
• Weighted residual factors for significantly intense reflections: 0.0405
• Weighted residual factors for all reflections included in the refinement: 0.0407
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No