Information card for entry 1548005

Structure parameters

• Formula: C39 H60 N2 P2 Si4 Th
• Calculated formula: C39 H60 N2 P2 Si4 Th
• Title of publication: The inverse-trans-influence in tetravalent lanthanide and actinide bis(carbene) complexes
• Authors of publication: Matthew Gregson; Erli Lu; David P. Mills; Floriana Tuna; Eric J. L. McInnes; Christoph Hennig; Andreas C. Scheinost; Jonathan McMaster; William Lewis; Alexander J. Blake; Andrew Kerridge; Stephen T. Liddle
• Journal of publication: Nature Communications
• Year of publication: 2017
• Journal volume: 8
• Pages of publication: 14137
• a: 19.2611 ± 0.0016 Å
• b: 19.2083 ± 0.0018 Å
• c: 12.23 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4524.8 ± 0.7 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90.15 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1123
• Residual factor for significantly intense reflections: 0.0828
• Weighted residual factors for significantly intense reflections: 0.2095
• Weighted residual factors for all reflections included in the refinement: 0.2391
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No