Information card for entry 4306664

Structure parameters

• Formula: C28 H42 F6 Fe2 Ni P S4
• Calculated formula: C28 H42 F6 Fe2 Ni P S4
• SMILES: [P](F)(F)(F)(F)(F)[F-].C[c]12[c]3([c]4([c]5([c]1(C)[Fe]16782345[Ni]234([S]5[C]9(=[C]%10([S]2[Fe]2%11%12%13459%10[c]4([c]%13([c]%12([c]%11([c]24C)C)C)C)C)C)C)[S]7[C]1(=[C]6(C)[S]83)C)C)C)C
• 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: 8.3214 ± 0.0007 Å
• b: 8.4045 ± 0.0006 Å
• c: 13.0294 ± 0.0011 Å
• α: 105.575 ± 0.005°
• β: 101.908 ± 0.004°
• γ: 103.12 ± 0.004°
• Cell volume: 819.43 ± 0.12 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: 0.0875
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1308
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No