Information card for entry 4066337

Structure parameters

• Formula: C37 H36 Fe N P3
• Calculated formula: C37 H36 Fe N P3
• SMILES: [Fe]12345678([c]9(P)[c]1([c]2([cH]3[cH]49)P(c1ccccc1)c1ccccc1)CN(C)C)[c]1([cH]5[cH]6[cH]7[cH]81)P(c1ccccc1)c1ccccc1
• 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: 10.2115 ± 0.0004 Å
• b: 11.4581 ± 0.0004 Å
• c: 14.7424 ± 0.0006 Å
• α: 99.385 ± 0.003°
• β: 97.342 ± 0.003°
• γ: 108.169 ± 0.003°
• Cell volume: 1587.35 ± 0.11 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0681
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0636
• Weighted residual factors for all reflections included in the refinement: 0.0679
• Goodness-of-fit parameter for all reflections included in the refinement: 0.872
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No