Information card for entry 7037575

Structure parameters

• Formula: C26 H24 Cl2 Fe P2
• Calculated formula: C26 H24 Cl2 Fe P2
• Title of publication: Highly nucleophilic dipropanolamine chelated boron reagents for aryl-transmetallation to iron complexes.
• Authors of publication: Dunsford, Jay J.; Clark, Ewan R.; Ingleson, Michael J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 47
• Pages of publication: 20577 - 20583
• a: 12.9849 ± 0.0006 Å
• b: 11.4495 ± 0.0007 Å
• c: 16.7344 ± 0.0008 Å
• α: 90°
• β: 100.206 ± 0.004°
• γ: 90°
• Cell volume: 2448.5 ± 0.2 ų
• Cell temperature: 150 ± 0.5 K
• Ambient diffraction temperature: 150 ± 0.5 K
• Number of distinct elements: 5
• 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: 0.0796
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0368
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No