Information card for entry 1547998

Structure parameters

• Formula: C89 H124 K N4 O8 P4 Pr Si4
• Calculated formula: C89 H124 K N4 O8 P4 Pr Si4
• 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: 16.9776 ± 0.0006 Å
• b: 17.8949 ± 0.0006 Å
• c: 19.1874 ± 0.0007 Å
• α: 71.135 ± 0.003°
• β: 64.209 ± 0.004°
• γ: 65.333 ± 0.003°
• Cell volume: 4697.6 ± 0.3 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: 0.058
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1517
• Weighted residual factors for all reflections included in the refinement: 0.1554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No