Information card for entry 4066334

Structure parameters

• Formula: C29 H35 Fe N O2 P2
• Calculated formula: C29 H35 Fe N O2 P2
• SMILES: [Fe]12345678([c]9(P(OCC)OCC)[c]1([c]2(P(c1ccccc1)c1ccccc1)[cH]3[cH]49)CN(C)C)[cH]1[cH]5[cH]6[cH]7[cH]81
• 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: 9.9909 ± 0.0002 Å
• b: 10.5284 ± 0.0002 Å
• c: 13.2106 ± 0.0002 Å
• α: 92.11 ± 0.001°
• β: 93.214 ± 0.001°
• γ: 103.366 ± 0.001°
• Cell volume: 1348.06 ± 0.04 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: 0.0385
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.0927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No