Information card for entry 4322576

Structure parameters

• Formula: C21 H48 B2 F8 Fe O P4
• Calculated formula: C21 H48 B2 F8 Fe O P4
• SMILES: [Fe]12([P](CC[P]1(CC)CC)(CC)CC)([P](CC[P]2(CC)CC)(CC)CC)([F][B](F)(F)F)C#[O].[B](F)(F)(F)[F-]
• Title of publication: Acidic Dicationic Iron(II) Dihydrogen Complexes and Compounds Related by H2 Substitution
• Authors of publication: Shaun E. Landau; Robert H. Morris; Alan J. Lough
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 6060 - 6068
• a: 10.27 ± 0.002 Å
• b: 15.014 ± 0.003 Å
• c: 39.908 ± 0.008 Å
• α: 90°
• β: 96.23 ± 0.03°
• γ: 90°
• Cell volume: 6117 ± 2 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0716
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1485
• Weighted residual factors for all reflections included in the refinement: 0.156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No