Information card for entry 7005157

Structure parameters

• Formula: C31 H32 Fe N P Si
• Calculated formula: C31 H32 Fe N P Si
• SMILES: [Fe]12345678([c]9([c]1([c]2([Si](c1ccccc1)(c1ccccc1)c1ccccc1)[cH]3[cH]49)CN(C)C)P)[cH]1[cH]8[cH]7[cH]6[cH]51
• Title of publication: Aminoalkylferrocenyldichlorophosphanes: facile synthesis of versatile chiral starting materials.
• Authors of publication: Tschirschwitz, Steffen; Lönnecke, Peter; Hey-Hawkins, Evamarie
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 14
• Pages of publication: 1377 - 1382
• a: 10.0968 ± 0.0015 Å
• b: 12.1986 ± 0.0018 Å
• c: 12.968 ± 0.002 Å
• α: 65.532 ± 0.003°
• β: 71.067 ± 0.003°
• γ: 85.882 ± 0.003°
• Cell volume: 1371.5 ± 0.4 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.0757
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1239
• Weighted residual factors for all reflections included in the refinement: 0.1372
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No