Information card for entry 7005158

Structure parameters

• Formula: C31 H31 Fe N Si
• Calculated formula: C31 H31 Fe N Si
• SMILES: [Fe]12345678([c]9([c]1([cH]2[cH]3[cH]49)CN(C)C)[Si](c1ccccc1)(c1ccccc1)c1ccccc1)[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: 10.4014 ± 0.0009 Å
• b: 10.6429 ± 0.0011 Å
• c: 13.2272 ± 0.0012 Å
• α: 74.919 ± 0.011°
• β: 75.272 ± 0.01°
• γ: 69.639 ± 0.011°
• Cell volume: 1303.6 ± 0.2 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.056
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections included in the refinement: 0.068
• Goodness-of-fit parameter for all reflections included in the refinement: 0.804
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No