Information card for entry 7007811

Structure parameters

• Formula: C23 H47 B2 F8 Fe N O P4
• Calculated formula: C23 H47 B2 F8 Fe N O P4
• SMILES: c12cccc3C(C)(C[P](C)(C)[Fe]4([P](CC1(C[P]4(C)C)C)(C)C)([P](C)(C)OCC)[n]23)C.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: Solvent dependent reactivity: solvent activation vs. solvent coordination in alkylphosphane iron complexes.
• Authors of publication: Kohl, Stephan W.; Heinemann, Frank W.; Hummert, Markus; Bauer, Walter; Grohmann, Andreas
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 47
• Pages of publication: 5583 - 5592
• a: 10.9275 ± 0.0009 Å
• b: 12.1691 ± 0.0019 Å
• c: 23.218 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3087.5 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0667
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No