Information card for entry 4301235

Structure parameters

• Formula: C27 H38 B Ce N6 O
• Calculated formula: C27 H38 B Ce N6 O
• Title of publication: Synthesis, Molecular, and Electronic Structure of (η8-C8H8)Ln(scorpionate) Half-Sandwich Complexes: An Experimental Key to a Better Understanding of f-Element-Cyclooctatetraenyl Bonding
• Authors of publication: Hanns-Dieter Amberger; Frank T. Edelmann; Jochen Gottfriedsen; Regine Herbst-Irmer; Stefan Jank; Ulrike Kilimann; Mathias Noltemeyer; Hauke Reddmann; Martina Schäfer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 760 - 772
• a: 8.086 ± 0.001 Å
• b: 21.317 ± 0.002 Å
• c: 15.906 ± 0.002 Å
• α: 90°
• β: 103.02 ± 0.01°
• γ: 90°
• Cell volume: 2671.2 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0676
• Weighted residual factors for all reflections included in the refinement: 0.0729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No