Information card for entry 7706284

Structure parameters

• Formula: C27 H19 B Cl F15 Fe O3 P2
• Calculated formula: C27 H19 B Cl F15 Fe O3 P2
• SMILES: [FeH]([P](C)(C)C)([P](C)(C)C)(C#[O])(C#[O])C#[O].Cl[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: 8.6538 ± 0.0003 Å
• b: 11.4042 ± 0.0004 Å
• c: 16.5963 ± 0.0006 Å
• α: 91.457 ± 0.001°
• β: 97.082 ± 0.001°
• γ: 102.601 ± 0.001°
• Cell volume: 1583.92 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1215
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.1133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No