Information card for entry 4073631

Structure parameters

• Formula: C15 H27 B10 Cl Fe N P
• Calculated formula: C15 H27 B10 Cl Fe N P
• SMILES: [Fe]12345678([c]9([cH]4[cH]3[cH]2[c]19CN(C)C)P(Cl)[C]1234[CH]9%10%11[BH]%12%13%14[BH]%1519[BH]19%12[BH]%12%16%13[BH]%13%10%14[BH]%102%11[BH]2%12%13[BH]%111%16[BH]3%159[BH]4%102%11)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: Stereoselective Synthesis ofortho-Carbaborane-ContainingP-Chiral Phosphanylferrocenes†
• Authors of publication: Tschirschwitz, Steffen; Lönnecke, Peter; Hey-Hawkins, Evamarie
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 19
• Pages of publication: 4715
• a: 7.2701 ± 0.0007 Å
• b: 18.9264 ± 0.0018 Å
• c: 19.1007 ± 0.0018 Å
• α: 60.573 ± 0.002°
• β: 85.034 ± 0.002°
• γ: 88.127 ± 0.002°
• Cell volume: 2280.4 ± 0.4 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.083
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No