Information card for entry 4331133

Structure parameters

• Formula: C36 H34 B2 F8 N10 Ni
• Calculated formula: C36 H34 B2 F8 N10 Ni
• Title of publication: Structural and Spectroscopic Trends in a Series of Half-Sandwich Scorpionate Complexes
• Authors of publication: Shengwen Liang; Haoshuang Wang; Tapash Deb; Jeffrey L. Petersen; Gordon T. Yee; Michael P. Jensen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 12707 - 12719
• a: 12.3799 ± 0.0008 Å
• b: 16.636 ± 0.001 Å
• c: 19.5125 ± 0.0012 Å
• α: 90°
• β: 92.677 ± 0.001°
• γ: 90°
• Cell volume: 4014.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.07
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1545
• Weighted residual factors for all reflections included in the refinement: 0.1703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No