Information card for entry 7122564

Structure parameters

• Formula: C80 H79 Cl Mo N3 O3 P3 U
• Calculated formula: C80 H79 Cl Mo N3 O3 P3 U
• Title of publication: Actinide-transition metal bonding in heterobimetallic uranium- and thorium-molybdenum paddlewheel complexes.
• Authors of publication: Ayres, Alexander J.; Zegke, Markus; Ostrowski, Joseph P. A.; Tuna, Floriana; McInnes, Eric J. L.; Wooles, Ashley J.; Liddle, Stephen T.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 96
• Pages of publication: 13515 - 13518
• a: 12.2335 ± 0.0002 Å
• b: 13.3432 ± 0.0002 Å
• c: 21.8523 ± 0.0004 Å
• α: 89.2225 ± 0.0014°
• β: 74.9637 ± 0.0018°
• γ: 89.8281 ± 0.0015°
• Cell volume: 3444.59 ± 0.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No