Information card for entry 4089554

Structure parameters

• Formula: C25 H25 Br Fe N P
• Calculated formula: C25 H25 Br Fe N P
• SMILES: Br[c]12[Fe]3456789([c]%10([cH]5[cH]6[cH]4[c]3%10CN(C)C)P(c3ccccc3)c3ccccc3)[cH]1[cH]7[cH]8[cH]29
• 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: 10.2775 ± 0.0004 Å
• b: 22.6976 ± 0.0008 Å
• c: 10.9231 ± 0.0005 Å
• α: 90°
• β: 115.071 ± 0.005°
• γ: 90°
• Cell volume: 2308.01 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1033
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1394
• Weighted residual factors for all reflections included in the refinement: 0.1597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No