Information card for entry 4089552

Structure parameters

• Formula: C25 H25 Br Fe N P
• Calculated formula: C25 H25 Br Fe N P
• SMILES: Br[c]12[cH]3[Fe]4567891([c]1([c]4([cH]5[cH]7[cH]61)CN(C)C)P(c1ccccc1)c1ccccc1)[cH]2[cH]8[cH]39
• Title of publication: Synthesis of 1,1′,2-Trisubstituted Aryl-Based Ferrocenyl Phosphines as Precursors for Immobilized Ligands
• Authors of publication: Madalska, Martyna; Lönnecke, Peter; Ivanovski, Vladimir; Hey-Hawkins, Evamarie
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 20
• Pages of publication: 5852
• a: 10.2447 ± 0.0011 Å
• b: 22.318 ± 0.003 Å
• c: 10.7042 ± 0.001 Å
• α: 88.383 ± 0.009°
• β: 115.392 ± 0.01°
• γ: 90.615 ± 0.01°
• Cell volume: 2210.1 ± 0.5 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0867
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1223
• Weighted residual factors for all reflections included in the refinement: 0.1301
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No