Information card for entry 7005155

Structure parameters

• Formula: C13 H16 Cl2 Fe N P
• Calculated formula: C13 H16 Cl2 Fe N P
• SMILES: [Fe]12345678([c]9(P(Cl)Cl)[c]1([cH]2[cH]3[cH]49)CN(C)C)[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: 10.2696 ± 0.001 Å
• b: 10.762 ± 0.0009 Å
• c: 13.4203 ± 0.0013 Å
• α: 90°
• β: 100.198 ± 0.012°
• γ: 90°
• Cell volume: 1459.8 ± 0.2 ų
• Cell temperature: 208 ± 2 K
• Ambient diffraction temperature: 208 ± 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: 0.0437
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0573
• Weighted residual factors for all reflections included in the refinement: 0.0599
• Goodness-of-fit parameter for all reflections included in the refinement: 0.869
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No