Information card for entry 7005154

Structure parameters

• Formula: C14 H18 Cl2 Fe N P
• Calculated formula: C14 H18 Cl2 Fe N P
• SMILES: [Fe]12345678([c]9(P(Cl)Cl)[c]1([cH]2[cH]3[cH]49)[C@@H](N(C)C)C)[cH]1[cH]5[cH]6[cH]7[cH]81
• 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: 8.2995 ± 0.0012 Å
• b: 11.9091 ± 0.0016 Å
• c: 15.662 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1548 ± 0.4 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0258
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.0583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No