Information card for entry 4116958

Structure parameters

• Formula: C56 H75 B F24 Fe P4
• Calculated formula: C56 H75 B F24 Fe P4
• SMILES: [FeH3]([P](CC)(CC)CC)([P](CC)(CC)CC)([P](CC)(CC)CC)[P](CC)(CC)CC.FC(F)(F)c1cc(cc(c1)C(F)(F)F)[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
• Title of publication: Synthesis, Structural Diversity, Dynamics, and Acidity of the M(II) and M(IV) Complexes [MH3(PR3)4]+ (M = Fe, Ru, Os; R = Me, Et)
• Authors of publication: Dmitry G. Gusev; Rainer Hübener; Peter Burger; Olli Orama; Heinz Berke
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1997
• Journal volume: 119
• Pages of publication: 3716 - 3731
• a: 12.136 ± 0.002 Å
• b: 14.205 ± 0.003 Å
• c: 37.117 ± 0.006 Å
• α: 90°
• β: 98.93 ± 0.01°
• γ: 90°
• Cell volume: 6321 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.165
• Residual factor for significantly intense reflections: 0.0729
• Weighted residual factors for all reflections: 0.1772
• Weighted residual factors for significantly intense reflections: 0.1275
• Goodness-of-fit parameter for all reflections: 1.022
• Goodness-of-fit parameter for significantly intense reflections: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No