Information card for entry 4306663

Structure parameters

• Formula: C28 H42 B F4 Fe2 Ni S4
• Calculated formula: C28 H42 B F4 Fe2 Ni S4
• Title of publication: Nickel Dithiolene Chelate Rings in a New Role as η5-Coordinating Ligands: Synthesis, Structural Characterization, and Redox Reactivity of an "Fe2Ni" Bis-Double-Decker
• Authors of publication: Daniel J. Harrison; Antonio G. De Crisci; Alan J. Lough; Mitchell J. Kerr; Ulrich Fekl
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 10199 - 10201
• a: 8.2743 ± 0.0002 Å
• b: 8.3071 ± 0.0003 Å
• c: 12.9787 ± 0.0005 Å
• α: 105.123 ± 0.0017°
• β: 101.284 ± 0.0019°
• γ: 104.741 ± 0.002°
• Cell volume: 799.37 ± 0.05 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0515
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.0985
• 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