Information card for entry 4088412

Structure parameters

• Formula: C12 H14 B F4 Ni2 S2
• Calculated formula: C12 H14 B F4 Ni2 S2
• Title of publication: Effect of Pyramidalization of the M2(SR)2Center: The Case of (C5H5)2Ni2(SR)2
• Authors of publication: Chambers, Geoffrey M.; Rauchfuss, Thomas B.; Arrigoni, Federica; Zampella, Giuseppe
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 5
• Pages of publication: 836
• a: 12.854 ± 0.003 Å
• b: 10.221 ± 0.003 Å
• c: 11.434 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1502.2 ± 0.7 ų
• Cell temperature: 183.15 K
• Ambient diffraction temperature: 183.15 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0308
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0653
• Weighted residual factors for all reflections included in the refinement: 0.0677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No