Information card for entry 4301234

Structure parameters

• Formula: C17 H18 B N6 Sm
• Calculated formula: C17 H18 B N6 Sm
• 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: 7.422 ± 0.001 Å
• b: 13.233 ± 0.001 Å
• c: 18.83 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1849.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0494
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.1234
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No