Information card for entry 4066333

Structure parameters

• Formula: C25 H25 Cl2 Fe N P2
• Calculated formula: C25 H25 Cl2 Fe N P2
• SMILES: [Fe]12345678([c]9(P(Cl)Cl)[c]1([c]2(P(c1ccccc1)c1ccccc1)[cH]3[cH]49)CN(C)C)[cH]1[cH]8[cH]7[cH]6[cH]51
• Title of publication: Synthesis of Racemic Aminoalkylferrocenyldichlorophosphanes and -dialkylphosphonites and Their Conversion to Primary Phosphanes†
• Authors of publication: Limburg, Carolin; Lönnecke, Peter; Gómez-Ruiz, Santiago; Hey-Hawkins, Evamarie
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 21
• Pages of publication: 5427
• a: 8.8526 ± 0.0003 Å
• b: 9.7236 ± 0.0003 Å
• c: 28.518 ± 0.0007 Å
• α: 90°
• β: 97.079 ± 0.003°
• γ: 90°
• Cell volume: 2436.09 ± 0.13 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• 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: 0.1005
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.0856
• Goodness-of-fit parameter for all reflections included in the refinement: 0.903
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No