Information card for entry 7706286

Structure parameters

• Formula: C33 H24 B F15 Fe O3 P2 S
• Calculated formula: C33 H24 B F15 Fe O3 P2 S
• SMILES: [FeH]([P](C)(C)C)([P](C)(C)C)(C#[O])(C#[O])C#[O].S(c1ccccc1)[B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Zero valent iron complexes as base partners in frustrated Lewis pair chemistry.
• Authors of publication: Tinnermann, Hendrik; Fraser, Craig; Young, Rowan D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 43
• Pages of publication: 15184 - 15189
• a: 12.5412 ± 0.0004 Å
• b: 13.0207 ± 0.0004 Å
• c: 21.9702 ± 0.0007 Å
• α: 90°
• β: 90.14 ± 0.001°
• γ: 90°
• Cell volume: 3587.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• 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: 0.0604
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.0841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No