Information card for entry 4108874

Structure parameters

• Formula: C48 H56 N4 U
• Calculated formula: C48 H56 N4 U
• SMILES: [U]123456789%10(N(C)[N]1=C(c1ccccc1)c1ccccc1)(N(C)[N]2=C(c1ccccc1)c1ccccc1)([c]1([c]3([c]4([c]5([c]61C)C)C)C)C)[c]1([c]7([c]8([c]9([c]1%10C)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: 17.1612 ± 0.0011 Å
• b: 13.5228 ± 0.0009 Å
• c: 19.0358 ± 0.0011 Å
• α: 90°
• β: 112.152 ± 0.001°
• γ: 90°
• Cell volume: 4091.5 ± 0.4 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1014
• Residual factor for significantly intense reflections: 0.0739
• Weighted residual factors for significantly intense reflections: 0.1648
• Weighted residual factors for all reflections included in the refinement: 0.1778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No