Information card for entry 4301236

Structure parameters

• Formula: C23 H30 B N6 Sm
• Calculated formula: C23 H30 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: 10.588 ± 0.002 Å
• b: 13.637 ± 0.003 Å
• c: 16.344 ± 0.004 Å
• α: 74.06 ± 0.02°
• β: 85.27 ± 0.02°
• γ: 85.22 ± 0.02°
• Cell volume: 2256.9 ± 0.9 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1218
• Weighted residual factors for all reflections included in the refinement: 0.1415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No