Information card for entry 4108876

Structure parameters

• Formula: C60 H64 N4 Th
• Calculated formula: C60 H64 N4 Th
• SMILES: [Th]123456789%10([N](=C(c%11ccccc%11)c%11ccccc%11)N1Cc1ccccc1)([N](=C(c1ccccc1)c1ccccc1)N2Cc1ccccc1)([c]1([c]4([c]9([c]%10([c]31C)C)C)C)C)[c]1([c]5([c]6([c]7([c]81C)C)C)C)C
• Title of publication: Evidence for the Involvement of 5f Orbitals in the Bonding and Reactivity of Organometallic Actinide Compounds: Thorium(IV) and Uranium(IV) Bis(hydrazonato) Complexes
• Authors of publication: Thibault Cantat; Christopher R. Graves; Kimberly C. Jantunen; Carol J. Burns; Brian L. Scott; Eric J. Schelter; David E. Morris; P. Jeffrey Hay; Jaqueline L. Kiplinger
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 17537 - 17551
• a: 10.185 ± 0.003 Å
• b: 13.049 ± 0.004 Å
• c: 19.65 ± 0.005 Å
• α: 108.229 ± 0.005°
• β: 99.175 ± 0.004°
• γ: 96.147 ± 0.005°
• Cell volume: 2414.2 ± 1.2 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.0676
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1657
• Weighted residual factors for all reflections included in the refinement: 0.1714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.508
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No