Information card for entry 7038707

Structure parameters

• Common name: 3-Y
• Chemical name: [(C5H4Me)2Y]2(μ-η2:η2-N2)
• Formula: C32 H44 N2 O2 Y2
• Calculated formula: C32 H44 N2 O2 Y2
• SMILES: [cH]12[cH]3[cH]4[cH]5[c]1(C)[Y]167892345([cH]2[cH]1[cH]6[cH]7[c]82C)([N]1=[N]9[Y]234567891([cH]1[cH]2[cH]3[cH]4[c]51C)([cH]1[cH]6[cH]7[cH]8[c]91C)[O]1CCCC1)[O]1CCCC1
• Title of publication: Raman spectroscopy of the N-N bond in rare earth dinitrogen complexes.
• Authors of publication: Fieser, Megan E.; Woen, David H.; Corbey, Jordan F.; Mueller, Thomas J.; Ziller, Joseph W.; Evans, William J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 37
• Pages of publication: 14634 - 14644
• a: 11.91 ± 0.0009 Å
• b: 10.0376 ± 0.0007 Å
• c: 12.6988 ± 0.0009 Å
• α: 90°
• β: 95.7802 ± 0.0009°
• γ: 90°
• Cell volume: 1510.4 ± 0.19 ų
• Cell temperature: 88 ± 2 K
• Ambient diffraction temperature: 88 ± 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: 0.0226
• Residual factor for significantly intense reflections: 0.0193
• Weighted residual factors for significantly intense reflections: 0.0443
• Weighted residual factors for all reflections included in the refinement: 0.0453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No