Information card for entry 1515496

Structure parameters

• Formula: C40 H60 N2 Y2
• Calculated formula: C40 H60 N2 Y2
• SMILES: [Y]123456789([N]%10[Y]%11%12%13%14%15%16%17%18([N]1=%10)([c]1([c]%11([c]%12([c]%13([c]%141C)C)C)C)C)[c]1([c]%15([c]%16([c]%17([c]%181C)C)C)C)C)([c]1([c]5([c]4([c]3([c]21C)C)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: 10.6716 ± 0.0011 Å
• b: 10.9978 ± 0.0011 Å
• c: 16.7386 ± 0.0017 Å
• α: 77.9317 ± 0.0013°
• β: 77.8776 ± 0.0013°
• γ: 83.5536 ± 0.0013°
• Cell volume: 1873.4 ± 0.3 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 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: 0.0641
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No