Information card for entry 7038704

Structure parameters

• Common name: 1-Tb
• Chemical name: [(C5Me5)2Tb]2(μ-η2:η2-N2)
• Formula: C40 H60 N2 Tb2
• Calculated formula: C40 H60 N2 Tb2
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Tb]167892345([N]2=[N]9[Tb]3459%10%11%12%132([c]2([c]9([c]5([c]4([c]32C)C)C)C)C)[c]2([c]%10([c]%11([c]%12([c]%132C)C)C)C)C)[c]2([c]1([c]6([c]7([c]82C)C)C)C)C)C)C)C)C
• 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: 14.4075 ± 0.0015 Å
• b: 14.4075 ± 0.0015 Å
• c: 19.627 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4074.1 ± 0.7 ų
• Cell temperature: 88 ± 2 K
• Ambient diffraction temperature: 88 ± 2 K
• Number of distinct elements: 4
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0171
• Residual factor for significantly intense reflections: 0.0159
• Weighted residual factors for significantly intense reflections: 0.0372
• Weighted residual factors for all reflections included in the refinement: 0.0377
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No