Information card for entry 4333071

Structure parameters

• Common name: B(mim(t-Bu))3Fe(CO)2
• Formula: C32 H42 B Fe N6 O2 S3
• Calculated formula: C32 H42 B Fe N6 O2 S3
• Title of publication: Reactivity of the Metal→BX3Dative σ-Bond: 1,2-Addition Reactions of the Fe→BX3Moiety of the Ferraboratrane Complex [κ4-B(mimBut)3]Fe(CO)2
• Authors of publication: Figueroa, Joshua S.; Melnick, Jonathan G.; Parkin, Gerard
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 18
• Pages of publication: 7056 - 7058
• a: 14.099 ± 0.007 Å
• b: 16.316 ± 0.008 Å
• c: 15.324 ± 0.007 Å
• α: 90°
• β: 91.212 ± 0.008°
• γ: 90°
• Cell volume: 3524 ± 3 ų
• Cell temperature: 238 ± 2 K
• Ambient diffraction temperature: 238 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1819
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.1063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No